[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methyl-3-nitro-phenyl)methanone

Systemtic Name: [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methyl-3-nitro-phenyl)methanone Openeye Name: [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methyl-3-nitro-phenyl)methanone CAS Name: [4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-(2-methyl-3-nitrophenyl)methanone IUPAC Name: [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methyl-3-nitrophenyl)methanone Traditional Name: [4-(2,5-dimethylphenyl)sulfonylpiperazino]-(2-methyl-3-nitro-phenyl)methanone Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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