1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-2-(2-methylphenyl)ethanone

Systemtic Name: 1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-2-(2-methylphenyl)ethanone Openeye Name: 1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-2-(o-tolyl)ethanone CAS Name: 1-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]-2-(2-methylphenyl)ethanone IUPAC Name: 1-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]-2-(2-methylphenyl)ethanone Traditional Name: 1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]-2-(o-tolyl)ethanone Formula: C20H23N3O6S MolecularWeight: 433.47812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O6S/c1-15-5-3-4-6-16(15)13-20(24)21-9-11-22(12-10-21)30(27,28)17-7-8-19(29-2)18(14-17)23(25)26/h3-8,14H,9-13H2,1-2H3