N,N-dimethyl-4-[(4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)carbonyl]piperazine-1-sulfonamide

Systemtic Name: N,N-dimethyl-4-[(4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)carbonyl]piperazine-1-sulfonamide Openeye Name: N,N-dimethyl-4-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)piperazine-1-sulfonamide CAS Name: N,N-dimethyl-4-[oxo-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)methyl]-1-piperazinesulfonamide IUPAC Name: N,N-dimethyl-4-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)piperazine-1-sulfonamide Traditional Name: 4-(4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)-N,N-dimethyl-piperazine-1-sulfonamide Formula: C16H22N4O4S2 MolecularWeight: 398.50028

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CN(C)S(=O)(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C16H22N4O4S2/c1-18(2)26(23,24)20-8-6-19(7-9-20)16(22)12-3-4-14-13(11-12)17-15(21)5-10-25-14/h3-4,11H,5-10H2,1-2H3,(H,17,21)