3-methyl-3-(4-methylphenyl)-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]butan-1-one

Systemtic Name: 3-methyl-3-(4-methylphenyl)-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 3-methyl-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-3-(p-tolyl)butan-1-one CAS Name: 3-methyl-3-(4-methylphenyl)-1-[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 3-methyl-3-(4-methylphenyl)-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 3-methyl-1-(4-nosylpiperazino)-3-(p-tolyl)butan-1-one Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O5S/c1-17-4-6-18(7-5-17)22(2,3)16-21(26)23-12-14-24(15-13-23)31(29,30)20-10-8-19(9-11-20)25(27)28/h4-11H,12-16H2,1-3H3