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

Systemtic Name: 1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-2-(2-methylphenyl)ethanone Openeye Name: 1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-2-(o-tolyl)ethanone CAS Name: 1-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-2-(2-methylphenyl)ethanone IUPAC Name: 1-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-2-(2-methylphenyl)ethanone Traditional Name: 1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]-2-(o-tolyl)ethanone Formula: C20H23N3O5S MolecularWeight: 417.47872

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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)CC3=CC=CC=C3C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)CC3=CC=CC=C3C

InChI

InChI=1S/C20H23N3O5S/c1-15-5-3-4-6-17(15)13-20(24)21-9-11-22(12-10-21)29(27,28)19-14-18(23(25)26)8-7-16(19)2/h3-8,14H,9-13H2,1-2H3