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Chemistry, part 1

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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 > 1-[[(2r,3r)-8-(benzenesulfonamido)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl]-3-(4-fluorophenyl)-1-methylurea
... > 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 > 1-[[(2r,3r)-8-(benzenesulfonamido)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl]-3-(4-fluorophenyl)-1-methylurea
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfonic acid derivative > sulfonamide > 1-[[(2r,3r)-8-(benzenesulfonamido)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl]-3-(4-fluorophenyl)-1-methylurea
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > sulfonamide > 1-[[(2r,3r)-8-(benzenesulfonamido)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl]-3-(4-fluorophenyl)-1-methylurea

Preferred term

1-[[(2r,3r)-8-(benzenesulfonamido)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl]-3-(4-fluorophenyl)-1-methylurea  

Type

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

Broader concept

charge

  • 0

formula

  • C29H33FN4O6S

inchi

  • InChI=1S/C29H33FN4O6S/c1-19-16-34(20(2)18-35)28(36)25-15-23(32-41(38,39)24-7-5-4-6-8-24)13-14-26(25)40-27(19)17-33(3)29(37)31-22-11-9-21(30)10-12-22/h4-15,19-20,27,32,35H,16-18H2,1-3H3,(H,31,37)/t19-,20-,27+/m1/s1

inchikey

  • JVHWMDYUDFIPKY-DVHCVUMVSA-N

mass

  • 584.661

monoisotopicmass

  • 584.21048

smiles

  • C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)O[C@H]1CN(C)C(=O)NC4=CC=C(C=C4)F)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:129979

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