N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]-5-pyridin-4-yl-thiophene-2-sulfonamide

Systemtic Name: N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]-5-pyridin-4-yl-thiophene-2-sulfonamide Openeye Name: N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxo-pyrrolidin-3-yl]-5-(4-pyridyl)thiophene-2-sulfonamide CAS Name: N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxo-3-pyrrolidinyl]-5-pyridin-4-yl-2-thiophenesulfonamide IUPAC Name: N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-5-pyridin-4-ylthiophene-2-sulfonamide Traditional Name: N-[(3S)-1-(3-cyanobenzyl)-2-keto-pyrrolidin-3-yl]-5-(4-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=CC=NC=C3)CC4=CC=CC(=C4)C#N

Isomeric SMILES

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

InChI

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