4-(4-methylphenyl)sulfonyl-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 4-(4-methylphenyl)sulfonyl-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-4-(p-tolylsulfonyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile CAS Name: 4-(4-methylphenyl)sulfonyl-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-4-(4-methylphenyl)sulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-4-tosyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Formula: C24H23N3O2S MolecularWeight: 417.52332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C=CC(=C3)C#N)NCC2CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C=CC(=C3)C#N)NCC2CC4=CC=CC=C4

InChI

InChI=1S/C24H23N3O2S/c1-18-7-10-23(11-8-18)30(28,29)27-17-21-13-20(15-25)9-12-24(21)26-16-22(27)14-19-5-3-2-4-6-19/h2-13,22,26H,14,16-17H2,1H3