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

Systemtic Name: (5R)-5-cyclohexyl-4-(4-methylphenyl)sulfonyl-5H-1,4-benzothiazepine-2,3-dicarbonitrile Openeye Name: (5R)-5-cyclohexyl-4-(p-tolylsulfonyl)-5H-1,4-benzothiazepine-2,3-dicarbonitrile CAS Name: (5R)-5-cyclohexyl-4-(4-methylphenyl)sulfonyl-5H-1,4-benzothiazepine-2,3-dicarbonitrile IUPAC Name: (5R)-5-cyclohexyl-4-(4-methylphenyl)sulfonyl-5H-1,4-benzothiazepine-2,3-dicarbonitrile Traditional Name: (5R)-5-cyclohexyl-4-tosyl-5H-1,4-benzothiazepine-2,3-dicarbonitrile Formula: C24H23N3O2S2 MolecularWeight: 449.58832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O2S2/c1-17-11-13-19(14-12-17)31(28,29)27-21(15-25)23(16-26)30-22-10-6-5-9-20(22)24(27)18-7-3-2-4-8-18/h5-6,9-14,18,24H,2-4,7-8H2,1H3/t24-/m1/s1