[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(3-methyl-4-nitro-phenyl)methanone

Systemtic Name: [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(3-methyl-4-nitro-phenyl)methanone Openeye Name: [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(3-methyl-4-nitro-phenyl)methanone CAS Name: [4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-(3-methyl-4-nitrophenyl)methanone IUPAC Name: [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(3-methyl-4-nitrophenyl)methanone Traditional Name: [4-(2,4-dimethylphenyl)sulfonylpiperazino]-(3-methyl-4-nitro-phenyl)methanone Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5S/c1-14-4-7-19(16(3)12-14)29(27,28)22-10-8-21(9-11-22)20(24)17-5-6-18(23(25)26)15(2)13-17/h4-7,12-13H,8-11H2,1-3H3