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

Systemtic Name: dimethyl (5R)-5-(3-bromophenyl)-4-(4-methylphenyl)sulfonyl-5H-1,4-benzothiazepine-2,3-dicarboxylate Openeye Name: dimethyl (5R)-5-(3-bromophenyl)-4-(p-tolylsulfonyl)-5H-1,4-benzothiazepine-2,3-dicarboxylate CAS Name: (5R)-5-(3-bromophenyl)-4-(4-methylphenyl)sulfonyl-5H-1,4-benzothiazepine-2,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (5R)-5-(3-bromophenyl)-4-(4-methylphenyl)sulfonyl-5H-1,4-benzothiazepine-2,3-dicarboxylate Traditional Name: (5R)-5-(3-bromophenyl)-4-tosyl-5H-1,4-benzothiazepine-2,3-dicarboxylic acid dimethyl ester Formula: C26H22BrNO6S2 MolecularWeight: 588.48998

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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)C4=CC(=CC=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H](C3=CC=CC=C3SC(=C2C(=O)OC)C(=O)OC)C4=CC(=CC=C4)Br

InChI

InChI=1S/C26H22BrNO6S2/c1-16-11-13-19(14-12-16)36(31,32)28-22(17-7-6-8-18(27)15-17)20-9-4-5-10-21(20)35-24(26(30)34-3)23(28)25(29)33-2/h4-15,22H,1-3H3/t22-/m1/s1