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

Systemtic Name: 3-fluoranyl-4-(4-methylphenyl)sulfonyl-7-nitro-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 3-fluoro-7-nitro-5-phenyl-4-(p-tolylsulfonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 3-fluoro-4-(4-methylphenyl)sulfonyl-7-nitro-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 3-fluoro-4-(4-methylphenyl)sulfonyl-7-nitro-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 3-fluoro-7-nitro-5-phenyl-4-tosyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C22H18FN3O5S MolecularWeight: 455.458823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(C3=C(C=CC(=C3)[N+](=O)[O-])NC(=O)C2F)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(C3=C(C=CC(=C3)[N+](=O)[O-])NC(=O)C2F)C4=CC=CC=C4

InChI

InChI=1S/C22H18FN3O5S/c1-14-7-10-17(11-8-14)32(30,31)25-20(15-5-3-2-4-6-15)18-13-16(26(28)29)9-12-19(18)24-22(27)21(25)23/h2-13,20-21H,1H3,(H,24,27)