1-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-4-(2-nitrophenyl)sulfonyl-piperazine

Systemtic Name: 1-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-4-(2-nitrophenyl)sulfonyl-piperazine Openeye Name: 1-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-4-(2-nitrophenyl)sulfonyl-piperazine CAS Name: 1-[3-(3,5-dimethyl-1-pyrazolyl)-4-nitrophenyl]-4-(2-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-[3-(3,5-dimethylpyrazol-1-yl)-4-nitrophenyl]-4-(2-nitrophenyl)sulfonylpiperazine Traditional Name: 1-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-4-(2-nitrophenyl)sulfonyl-piperazine Formula: C21H22N6O6S MolecularWeight: 486.50098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C21H22N6O6S/c1-15-13-16(2)25(22-15)20-14-17(7-8-18(20)26(28)29)23-9-11-24(12-10-23)34(32,33)21-6-4-3-5-19(21)27(30)31/h3-8,13-14H,9-12H2,1-2H3