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

Systemtic Name: N-[[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]methyl]-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-[[1-[(2,5-dimethylphenyl)methyl]-4-piperidyl]methyl]-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-[[1-[(2,5-dimethylphenyl)methyl]-4-piperidinyl]methyl]-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-[[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]methyl]-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-[[1-(2,5-dimethylbenzyl)-4-piperidyl]methyl]-4-keto-2-methyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C25H33N3O3S2 MolecularWeight: 487.67782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O3S2/c1-17-4-5-18(2)21(12-17)16-28-10-8-20(9-11-28)15-26-33(30,31)22-6-7-24-23(14-22)27-25(29)13-19(3)32-24/h4-7,12,14,19-20,26H,8-11,13,15-16H2,1-3H3,(H,27,29)