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

Systemtic Name: 4-(4-methoxyphenyl)sulfonyl-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-4-(4-methoxyphenyl)sulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile CAS Name: 4-(4-methoxyphenyl)sulfonyl-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-4-(4-methoxyphenyl)sulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-4-(4-methoxyphenyl)sulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Formula: C24H23N3O3S MolecularWeight: 433.52272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C=CC(=C3)C#N)NCC2CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C=CC(=C3)C#N)NCC2CC4=CC=CC=C4

InChI

InChI=1S/C24H23N3O3S/c1-30-22-8-10-23(11-9-22)31(28,29)27-17-20-13-19(15-25)7-12-24(20)26-16-21(27)14-18-5-3-2-4-6-18/h2-13,21,26H,14,16-17H2,1H3