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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > organosulfur compound > sulfonamide > n-[[(2r,3s)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-4-fluoro-n-methylbenzenesulfonamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > sulfur oxoacid derivative > sulfonic acid derivative > sulfonamide > n-[[(2r,3s)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-4-fluoro-n-methylbenzenesulfonamide
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfonic acid derivative > sulfonamide > n-[[(2r,3s)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-4-fluoro-n-methylbenzenesulfonamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > sulfonamide > n-[[(2r,3s)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-4-fluoro-n-methylbenzenesulfonamide

Preferred term

n-[[(2r,3s)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-4-fluoro-n-methylbenzenesulfonamide  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C26H33FN4O5S

inchi

  • InChI=1S/C26H33FN4O5S/c1-18-15-31(19(2)17-32)26(33)23-13-20(7-6-12-29(3)4)14-28-25(23)36-24(18)16-30(5)37(34,35)22-10-8-21(27)9-11-22/h8-11,13-14,18-19,24,32H,12,15-17H2,1-5H3/t18-,19+,24-/m0/s1

inchikey

  • OILDSAGBLQPBNF-GLDPYIMESA-N

mass

  • 532.630

monoisotopicmass

  • 532.21557

smiles

  • C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C#CCN(C)C)O[C@H]1CN(C)S(=O)(=O)C3=CC=C(C=C3)F)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:114104

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