N-[(3S)-1-[(5-cyano-2-oxidanyl-phenyl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]-5-pyridin-3-yl-thiophene-2-sulfonamide

Systemtic Name: N-[(3S)-1-[(5-cyano-2-oxidanyl-phenyl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]-5-pyridin-3-yl-thiophene-2-sulfonamide Openeye Name: N-[(3S)-1-[(5-cyano-2-hydroxy-phenyl)methyl]-2-oxo-pyrrolidin-3-yl]-5-(3-pyridyl)thiophene-2-sulfonamide CAS Name: N-[(3S)-1-[(5-cyano-2-hydroxyphenyl)methyl]-2-oxo-3-pyrrolidinyl]-5-(3-pyridinyl)-2-thiophenesulfonamide IUPAC Name: N-[(3S)-1-[(5-cyano-2-hydroxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-5-pyridin-3-ylthiophene-2-sulfonamide Traditional Name: N-[(3S)-1-(5-cyano-2-hydroxy-benzyl)-2-keto-pyrrolidin-3-yl]-5-(3-pyridyl)thiophene-2-sulfonamide Formula: C21H18N4O4S2 MolecularWeight: 454.52202

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1NS(=O)(=O)C2=CC=C(S2)C3=CN=CC=C3)CC4=C(C=CC(=C4)C#N)O

Isomeric SMILES

C1CN(C(=O)[C@H]1NS(=O)(=O)C2=CC=C(S2)C3=CN=CC=C3)CC4=C(C=CC(=C4)C#N)O

InChI

InChI=1S/C21H18N4O4S2/c22-11-14-3-4-18(26)16(10-14)13-25-9-7-17(21(25)27)24-31(28,29)20-6-5-19(30-20)15-2-1-8-23-12-15/h1-6,8,10,12,17,24,26H,7,9,13H2/t17-/m0/s1