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

Systemtic Name: 2-methyl-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: 2-methyl-4-oxo-N-[[1-(p-tolylmethyl)-4-piperidyl]methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: 2-methyl-N-[[1-[(4-methylphenyl)methyl]-4-piperidinyl]methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: 2-methyl-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: 4-keto-2-methyl-N-[[1-(4-methylbenzyl)-4-piperidyl]methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C24H31N3O3S2 MolecularWeight: 473.65124

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NCC3CCN(CC3)CC4=CC=C(C=C4)C

Isomeric SMILES

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NCC3CCN(CC3)CC4=CC=C(C=C4)C

InChI

InChI=1S/C24H31N3O3S2/c1-17-3-5-20(6-4-17)16-27-11-9-19(10-12-27)15-25-32(29,30)21-7-8-23-22(14-21)26-24(28)13-18(2)31-23/h3-8,14,18-19,25H,9-13,15-16H2,1-2H3,(H,26,28)