1-(2,5-dimethylphenyl)-4-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(2,5-dimethylphenyl)-4-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]butane-1,4-dione Openeye Name: 1-(2,5-dimethylphenyl)-4-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]butane-1,4-dione CAS Name: 1-(2,5-dimethylphenyl)-4-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(2,5-dimethylphenyl)-4-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]butane-1,4-dione Traditional Name: 1-(2,5-dimethylphenyl)-4-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]butane-1,4-dione Formula: C23H27N3O6S MolecularWeight: 473.54198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C23H27N3O6S/c1-16-4-5-17(2)20(14-16)21(27)8-9-23(28)24-10-12-25(13-11-24)33(31,32)22-15-19(26(29)30)7-6-18(22)3/h4-7,14-15H,8-13H2,1-3H3