7-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione

Systemtic Name: 7-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione Openeye Name: 7-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione CAS Name: 7-[[4-(2,5-dimethylphenyl)-1-piperazinyl]sulfonyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione IUPAC Name: 7-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione Traditional Name: 7-[4-(2,5-dimethylphenyl)piperazino]sulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-quinone Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)CC(=O)N4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)CC(=O)N4

InChI

InChI=1S/C21H24N4O4S/c1-14-3-4-15(2)19(11-14)24-7-9-25(10-8-24)30(28,29)16-5-6-17-18(12-16)23-21(27)13-20(26)22-17/h3-6,11-12H,7-10,13H2,1-2H3,(H,22,26)(H,23,27)