3-methyl-7-(4-methylsulfonylpiperazin-1-yl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

Systemtic Name: 3-methyl-7-(4-methylsulfonylpiperazin-1-yl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione Openeye Name: 3-methyl-7-(4-methylsulfonylpiperazin-1-yl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione CAS Name: 3-methyl-7-(4-methylsulfonyl-1-piperazinyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione IUPAC Name: 3-methyl-7-(4-methylsulfonylpiperazin-1-yl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione Traditional Name: 7-(4-mesylpiperazino)-3-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-quinone Formula: C15H20N4O4S MolecularWeight: 352.4087

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(C=C(C=C2)N3CCN(CC3)S(=O)(=O)C)C(=O)N1

Isomeric SMILES

CC1C(=O)NC2=C(C=C(C=C2)N3CCN(CC3)S(=O)(=O)C)C(=O)N1

InChI

InChI=1S/C15H20N4O4S/c1-10-14(20)17-13-4-3-11(9-12(13)15(21)16-10)18-5-7-19(8-6-18)24(2,22)23/h3-4,9-10H,5-8H2,1-2H3,(H,16,21)(H,17,20)