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

Systemtic Name: 3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: 3-methyl-N-[4-[(4-methyl-1-piperidyl)methyl]phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: 3-methyl-N-[4-[(4-methyl-1-piperidinyl)methyl]phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: 3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: 4-keto-3-methyl-N-[4-[(4-methylpiperidino)methyl]phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C23H29N3O3S2 MolecularWeight: 459.62466

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CC2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)SCC(C(=O)N4)C

Isomeric SMILES

CC1CCN(CC1)CC2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)SCC(C(=O)N4)C

InChI

InChI=1S/C23H29N3O3S2/c1-16-9-11-26(12-10-16)14-18-3-5-19(6-4-18)25-31(28,29)20-7-8-22-21(13-20)24-23(27)17(2)15-30-22/h3-8,13,16-17,25H,9-12,14-15H2,1-2H3,(H,24,27)