5-chloranyl-N-[(3S)-1-[(2-cyanopyridin-4-yl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]-N,3-dimethyl-1-benzothiophene-2-sulfonamide

Systemtic Name: 5-chloranyl-N-[(3S)-1-[(2-cyanopyridin-4-yl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]-N,3-dimethyl-1-benzothiophene-2-sulfonamide Openeye Name: 5-chloro-N-[(3S)-1-[(2-cyano-4-pyridyl)methyl]-2-oxo-pyrrolidin-3-yl]-N,3-dimethyl-benzothiophene-2-sulfonamide CAS Name: 5-chloro-N-[(3S)-1-[(2-cyano-4-pyridinyl)methyl]-2-oxo-3-pyrrolidinyl]-N,3-dimethyl-1-benzothiophene-2-sulfonamide IUPAC Name: 5-chloro-N-[(3S)-1-[(2-cyanopyridin-4-yl)methyl]-2-oxopyrrolidin-3-yl]-N,3-dimethyl-1-benzothiophene-2-sulfonamide Traditional Name: 5-chloro-N-[(3S)-1-[(2-cyano-4-pyridyl)methyl]-2-keto-pyrrolidin-3-yl]-N,3-dimethyl-benzothiophene-2-sulfonamide Formula: C21H19ClN4O3S2 MolecularWeight: 474.98356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)N(C)C3CCN(C3=O)CC4=CC(=NC=C4)C#N

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)N(C)[C@H]3CCN(C3=O)CC4=CC(=NC=C4)C#N

InChI

InChI=1S/C21H19ClN4O3S2/c1-13-17-10-15(22)3-4-19(17)30-21(13)31(28,29)25(2)18-6-8-26(20(18)27)12-14-5-7-24-16(9-14)11-23/h3-5,7,9-10,18H,6,8,12H2,1-2H3/t18-/m0/s1