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

Systemtic Name: N-[(2-methoxyphenyl)methyl]-2-methyl-N-(1-methylpiperidin-4-yl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-[(2-methoxyphenyl)methyl]-2-methyl-N-(1-methyl-4-piperidyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-[(2-methoxyphenyl)methyl]-2-methyl-N-(1-methyl-4-piperidinyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-[(2-methoxyphenyl)methyl]-2-methyl-N-(1-methylpiperidin-4-yl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: 4-keto-2-methyl-N-(1-methyl-4-piperidyl)-N-o-anisyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C24H31N3O4S2 MolecularWeight: 489.65064

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)N(CC3=CC=CC=C3OC)C4CCN(CC4)C

Isomeric SMILES

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)N(CC3=CC=CC=C3OC)C4CCN(CC4)C

InChI

InChI=1S/C24H31N3O4S2/c1-17-14-24(28)25-21-15-20(8-9-23(21)32-17)33(29,30)27(19-10-12-26(2)13-11-19)16-18-6-4-5-7-22(18)31-3/h4-9,15,17,19H,10-14,16H2,1-3H3,(H,25,28)