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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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