2-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide

Systemtic Name: 2-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: 2-methyl-N-[3-(4-methyl-1-piperidyl)propyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: 2-methyl-N-[3-(4-methyl-1-piperidinyl)propyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: 2-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: 4-keto-2-methyl-N-[3-(4-methylpiperidino)propyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C19H29N3O3S2 MolecularWeight: 411.58186

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CCCNS(=O)(=O)C2=CC3=C(C=C2)SC(CC(=O)N3)C

Isomeric SMILES

CC1CCN(CC1)CCCNS(=O)(=O)C2=CC3=C(C=C2)SC(CC(=O)N3)C

InChI

InChI=1S/C19H29N3O3S2/c1-14-6-10-22(11-7-14)9-3-8-20-27(24,25)16-4-5-18-17(13-16)21-19(23)12-15(2)26-18/h4-5,13-15,20H,3,6-12H2,1-2H3,(H,21,23)