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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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