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

Systemtic Name: [4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-(3-methylphenyl)methanone Openeye Name: [4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-(m-tolyl)methanone CAS Name: [4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-(3-methylphenyl)methanone IUPAC Name: [4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-(3-methylphenyl)methanone Traditional Name: [4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]-(m-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=C3)C

Isomeric SMILES

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

InChI

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