2-(3,4-dimethylphenyl)-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(3,4-dimethylphenyl)-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(3,4-dimethylphenyl)-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(3,4-dimethylphenyl)-1-[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(3,4-dimethylphenyl)-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(3,4-dimethylphenyl)-1-(4-nosylpiperazino)ethanone Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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