1-[4-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[4-(3,4-dimethylphenyl)sulfonylpiperazino]-3-nitro-phenyl]ethanone Formula: C20H23N3O5S MolecularWeight: 417.47872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5S/c1-14-4-6-18(12-15(14)2)29(27,28)22-10-8-21(9-11-22)19-7-5-17(16(3)24)13-20(19)23(25)26/h4-7,12-13H,8-11H2,1-3H3