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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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