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

Systemtic Name: 3-(phenylmethyl)-4-(phenylsulfonyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Openeye Name: 4-(benzenesulfonyl)-3-benzyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile CAS Name: 4-(benzenesulfonyl)-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 4-(benzenesulfonyl)-3-benzyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-4-besyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C(N1)C=CC(=C2)C#N)S(=O)(=O)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C(N(CC2=C(N1)C=CC(=C2)C#N)S(=O)(=O)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H21N3O2S/c24-15-19-11-12-23-20(13-19)17-26(29(27,28)22-9-5-2-6-10-22)21(16-25-23)14-18-7-3-1-4-8-18/h1-13,21,25H,14,16-17H2