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

Systemtic Name: N-[(3S)-1-[(5-cyano-2-oxidanyl-phenyl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide Openeye Name: N-[(3S)-1-[(5-cyano-2-hydroxy-phenyl)methyl]-2-oxo-pyrrolidin-3-yl]-5-isoxazol-3-yl-thiophene-2-sulfonamide CAS Name: N-[(3S)-1-[(5-cyano-2-hydroxyphenyl)methyl]-2-oxo-3-pyrrolidinyl]-5-(3-isoxazolyl)-2-thiophenesulfonamide IUPAC Name: N-[(3S)-1-[(5-cyano-2-hydroxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide Traditional Name: N-[(3S)-1-(5-cyano-2-hydroxy-benzyl)-2-keto-pyrrolidin-3-yl]-5-isoxazol-3-yl-thiophene-2-sulfonamide Formula: C19H16N4O5S2 MolecularWeight: 444.48414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O5S2/c20-10-12-1-2-16(24)13(9-12)11-23-7-5-15(19(23)25)22-30(26,27)18-4-3-17(29-18)14-6-8-28-21-14/h1-4,6,8-9,15,22,24H,5,7,11H2/t15-/m0/s1