1-(2,5-dimethylphenyl)-4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(2,5-dimethylphenyl)-4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]butane-1,4-dione Openeye Name: 1-(2,5-dimethylphenyl)-4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]butane-1,4-dione CAS Name: 1-(2,5-dimethylphenyl)-4-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(2,5-dimethylphenyl)-4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]butane-1,4-dione Traditional Name: 1-(2,5-dimethylphenyl)-4-[4-(3-nitrophenyl)sulfonylpiperazino]butane-1,4-dione Formula: C22H25N3O6S MolecularWeight: 459.5154

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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=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O6S/c1-16-6-7-17(2)20(14-16)21(26)8-9-22(27)23-10-12-24(13-11-23)32(30,31)19-5-3-4-18(15-19)25(28)29/h3-7,14-15H,8-13H2,1-2H3