4-oxidanylidene-N-(3-pyrrolidin-1-ylsulfonylphenyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: 4-oxidanylidene-N-(3-pyrrolidin-1-ylsulfonylphenyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: 4-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: 4-oxo-N-[3-(1-pyrrolidinylsulfonyl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: 4-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-(3-pyrrolidinosulfonylphenyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C20H21N3O4S2/c24-19-8-11-28-18-7-6-14(12-17(18)22-19)20(25)21-15-4-3-5-16(13-15)29(26,27)23-9-1-2-10-23/h3-7,12-13H,1-2,8-11H2,(H,21,25)(H,22,24)