dimethyl (5R)-5-cyclohexyl-4-(4-methylphenyl)sulfonyl-5H-1,4-benzothiazepine-2,3-dicarboxylate

Systemtic Name: dimethyl (5R)-5-cyclohexyl-4-(4-methylphenyl)sulfonyl-5H-1,4-benzothiazepine-2,3-dicarboxylate Openeye Name: dimethyl (5R)-5-cyclohexyl-4-(p-tolylsulfonyl)-5H-1,4-benzothiazepine-2,3-dicarboxylate CAS Name: (5R)-5-cyclohexyl-4-(4-methylphenyl)sulfonyl-5H-1,4-benzothiazepine-2,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (5R)-5-cyclohexyl-4-(4-methylphenyl)sulfonyl-5H-1,4-benzothiazepine-2,3-dicarboxylate Traditional Name: (5R)-5-cyclohexyl-4-tosyl-5H-1,4-benzothiazepine-2,3-dicarboxylic acid dimethyl ester Formula: C26H29NO6S2 MolecularWeight: 515.64156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(C3=CC=CC=C3SC(=C2C(=O)OC)C(=O)OC)C4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H](C3=CC=CC=C3SC(=C2C(=O)OC)C(=O)OC)C4CCCCC4

InChI

InChI=1S/C26H29NO6S2/c1-17-13-15-19(16-14-17)35(30,31)27-22(18-9-5-4-6-10-18)20-11-7-8-12-21(20)34-24(26(29)33-3)23(27)25(28)32-2/h7-8,11-16,18,22H,4-6,9-10H2,1-3H3/t22-/m1/s1