2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-methyl-N-[2-(4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxidanylidene-ethyl]ethanesulfonamide

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-methyl-N-[2-(4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxidanylidene-ethyl]ethanesulfonamide Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-methyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxo-ethyl]ethanesulfonamide CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-methyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]ethanesulfonamide IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-methyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]ethanesulfonamide Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[2-keto-2-(2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)ethyl]-N-methyl-ethanesulfonamide Formula: C20H26N6O6S MolecularWeight: 478.52204

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CN(C)S(=O)(=O)CCN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CN(C)S(=O)(=O)CCN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C20H26N6O6S/c1-13-11-18(27)21-16-7-5-6-8-17(16)25(13)19(28)12-23(4)33(31,32)10-9-24-15(3)20(26(29)30)14(2)22-24/h5-8,13H,9-12H2,1-4H3,(H,21,27)