2-oxidanylidene-3-(phenylmethyl)-4-(phenylsulfonyl)-3,5-dihydro-1H-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 2-oxidanylidene-3-(phenylmethyl)-4-(phenylsulfonyl)-3,5-dihydro-1H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 4-(benzenesulfonyl)-3-benzyl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-7-carbonitrile CAS Name: 4-(benzenesulfonyl)-2-oxo-3-(phenylmethyl)-3,5-dihydro-1H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 4-(benzenesulfonyl)-3-benzyl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-4-besyl-2-keto-3,5-dihydro-1H-1,4-benzodiazepine-7-carbonitrile Formula: C23H19N3O3S MolecularWeight: 417.48026

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)C#N)NC(=O)C(N1S(=O)(=O)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C2=C(C=CC(=C2)C#N)NC(=O)C(N1S(=O)(=O)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H19N3O3S/c24-15-18-11-12-21-19(13-18)16-26(30(28,29)20-9-5-2-6-10-20)22(23(27)25-21)14-17-7-3-1-4-8-17/h1-13,22H,14,16H2,(H,25,27)