4-(4-methylphenyl)sulfonyl-7-nitro-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Systemtic Name: 4-(4-methylphenyl)sulfonyl-7-nitro-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 7-nitro-5-phenyl-4-(p-tolylsulfonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 4-(4-methylphenyl)sulfonyl-7-nitro-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 4-(4-methylphenyl)sulfonyl-7-nitro-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 7-nitro-5-phenyl-4-tosyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C22H19N3O5S MolecularWeight: 437.46836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=O)NC3=C(C2C4=CC=CC=C4)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=O)NC3=C(C2C4=CC=CC=C4)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O5S/c1-15-7-10-18(11-8-15)31(29,30)24-14-21(26)23-20-12-9-17(25(27)28)13-19(20)22(24)16-5-3-2-4-6-16/h2-13,22H,14H2,1H3,(H,23,26)