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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 > n-[(2s,3s)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-thiophenesulfonamide
... > 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-[(2s,3s)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-thiophenesulfonamide
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfonic acid derivative > sulfonamide > n-[(2s,3s)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-thiophenesulfonamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > sulfonamide > n-[(2s,3s)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-thiophenesulfonamide

Preferred term

n-[(2s,3s)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-thiophenesulfonamide  

Type

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

Broader concept

charge

  • 0

formula

  • C28H41N3O5S2

inchi

  • InChI=1S/C28H41N3O5S2/c1-20-16-31(21(2)19-32)27(33)15-23-14-24(29-38(34,35)28-10-7-13-37-28)11-12-25(23)36-26(20)18-30(3)17-22-8-5-4-6-9-22/h7,10-14,20-22,26,29,32H,4-6,8-9,15-19H2,1-3H3/t20-,21+,26+/m0/s1

inchikey

  • VFSZYRACWGUUJQ-LZCXECNNSA-N

mass

  • 563.775

monoisotopicmass

  • 563.24876

smiles

  • C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CS3)O[C@@H]1CN(C)CC4CCCCC4)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:124591

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