1-[2,4,6-trimethyl-3-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]phenyl]ethanone

Systemtic Name: 1-[2,4,6-trimethyl-3-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]phenyl]ethanone Openeye Name: 1-[2,4,6-trimethyl-3-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]phenyl]ethanone CAS Name: 1-[2,4,6-trimethyl-3-[[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]methyl]phenyl]ethanone IUPAC Name: 1-[2,4,6-trimethyl-3-[[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]methyl]phenyl]ethanone Traditional Name: 1-[2,4,6-trimethyl-3-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]methyl]phenyl]ethanone Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O5S/c1-15-6-7-20(26(28)29)13-22(15)32(30,31)25-10-8-24(9-11-25)14-21-16(2)12-17(3)23(18(21)4)19(5)27/h6-7,12-13H,8-11,14H2,1-5H3