(3,4-dimethylphenyl)-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone

Systemtic Name: (3,4-dimethylphenyl)-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone Openeye Name: (3,4-dimethylphenyl)-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone CAS Name: (3,4-dimethylphenyl)-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (3,4-dimethylphenyl)-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (3,4-dimethylphenyl)-[4-(4-mesyl-2-nitro-phenyl)piperazino]methanone Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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