3-chloranyl-N-[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-oxo-2-[3-(1-pyrrolidinylsulfonyl)anilino]ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-keto-2-(3-pyrrolidinosulfonylanilino)ethyl]benzothiophene-2-carboxamide Formula: C21H20ClN3O4S2 MolecularWeight: 477.9842

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CNC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CNC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H20ClN3O4S2/c22-19-16-8-1-2-9-17(16)30-20(19)21(27)23-13-18(26)24-14-6-5-7-15(12-14)31(28,29)25-10-3-4-11-25/h1-2,5-9,12H,3-4,10-11,13H2,(H,23,27)(H,24,26)