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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

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