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

Systemtic Name: 4-oxidanylidene-N-(2-pyrrolidin-1-ylethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: 4-oxo-N-(2-pyrrolidin-1-ylethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: 4-oxo-N-[2-(1-pyrrolidinyl)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: 4-oxo-N-(2-pyrrolidin-1-ylethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: 4-keto-N-(2-pyrrolidinoethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C15H21N3O3S2 MolecularWeight: 355.47554

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCNS(=O)(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

C1CCN(C1)CCNS(=O)(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C15H21N3O3S2/c19-15-5-10-22-14-4-3-12(11-13(14)17-15)23(20,21)16-6-9-18-7-1-2-8-18/h3-4,11,16H,1-2,5-10H2,(H,17,19)