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

Systemtic Name: N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]-5-pyridin-3-yl-thiophene-2-sulfonamide Openeye Name: N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxo-pyrrolidin-3-yl]-5-(3-pyridyl)thiophene-2-sulfonamide CAS Name: N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxo-3-pyrrolidinyl]-5-(3-pyridinyl)-2-thiophenesulfonamide IUPAC Name: N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-5-pyridin-3-ylthiophene-2-sulfonamide Traditional Name: N-[(3S)-1-(3-cyanobenzyl)-2-keto-pyrrolidin-3-yl]-5-(3-pyridyl)thiophene-2-sulfonamide Formula: C21H18N4O3S2 MolecularWeight: 438.52262

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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=CC=CC(=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O3S2/c22-12-15-3-1-4-16(11-15)14-25-10-8-18(21(25)26)24-30(27,28)20-7-6-19(29-20)17-5-2-9-23-13-17/h1-7,9,11,13,18,24H,8,10,14H2/t18-/m0/s1