N,N-diethyl-4-[[5-(4-fluorophenyl)-7-methyl-2-oxidanylidene-3,5-dihydro-1H-1,4-benzodiazepin-4-yl]carbonyl]benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[[5-(4-fluorophenyl)-7-methyl-2-oxidanylidene-3,5-dihydro-1H-1,4-benzodiazepin-4-yl]carbonyl]benzenesulfonamide Openeye Name: N,N-diethyl-4-[5-(4-fluorophenyl)-7-methyl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-4-carbonyl]benzenesulfonamide CAS Name: N,N-diethyl-4-[[5-(4-fluorophenyl)-7-methyl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepin-4-yl]-oxomethyl]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[5-(4-fluorophenyl)-7-methyl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-4-carbonyl]benzenesulfonamide Traditional Name: N,N-diethyl-4-[5-(4-fluorophenyl)-2-keto-7-methyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carbonyl]benzenesulfonamide Formula: C27H28FN3O4S MolecularWeight: 509.592323

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CC(=O)NC3=C(C2C4=CC=C(C=C4)F)C=C(C=C3)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CC(=O)NC3=C(C2C4=CC=C(C=C4)F)C=C(C=C3)C

InChI

InChI=1S/C27H28FN3O4S/c1-4-30(5-2)36(34,35)22-13-9-20(10-14-22)27(33)31-17-25(32)29-24-15-6-18(3)16-23(24)26(31)19-7-11-21(28)12-8-19/h6-16,26H,4-5,17H2,1-3H3,(H,29,32)