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

Systemtic Name: (5R)-5-(3-bromophenyl)-4-(4-methylphenyl)sulfonyl-5H-1,4-benzothiazepine-2,3-dicarbonitrile Openeye Name: (5R)-5-(3-bromophenyl)-4-(p-tolylsulfonyl)-5H-1,4-benzothiazepine-2,3-dicarbonitrile CAS Name: (5R)-5-(3-bromophenyl)-4-(4-methylphenyl)sulfonyl-5H-1,4-benzothiazepine-2,3-dicarbonitrile IUPAC Name: (5R)-5-(3-bromophenyl)-4-(4-methylphenyl)sulfonyl-5H-1,4-benzothiazepine-2,3-dicarbonitrile Traditional Name: (5R)-5-(3-bromophenyl)-4-tosyl-5H-1,4-benzothiazepine-2,3-dicarbonitrile Formula: C24H16BrN3O2S2 MolecularWeight: 522.43674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(C3=CC=CC=C3SC(=C2C#N)C#N)C4=CC(=CC=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C24H16BrN3O2S2/c1-16-9-11-19(12-10-16)32(29,30)28-21(14-26)23(15-27)31-22-8-3-2-7-20(22)24(28)17-5-4-6-18(25)13-17/h2-13,24H,1H3/t24-/m1/s1