[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-(2-methylphenyl)methanone

Systemtic Name: [4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-(2-methylphenyl)methanone Openeye Name: [4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-(o-tolyl)methanone CAS Name: [4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-(2-methylphenyl)methanone IUPAC Name: [4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-(2-methylphenyl)methanone Traditional Name: [4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]-(o-tolyl)methanone Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3C

InChI

InChI=1S/C19H21N3O5S/c1-14-5-3-4-6-17(14)19(23)20-9-11-21(12-10-20)28(26,27)18-13-16(22(24)25)8-7-15(18)2/h3-8,13H,9-12H2,1-2H3