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

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(3,4-dimethylphenyl)sulfanyl-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-[(3,4-dimethylphenyl)thio]-1-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(3,4-dimethylphenyl)sulfanyl-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[(3,4-dimethylphenyl)thio]-1-[4-(2-nitrophenyl)sulfonylpiperazino]ethanone Formula: C20H23N3O5S2 MolecularWeight: 449.54372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5S2/c1-15-7-8-17(13-16(15)2)29-14-20(24)21-9-11-22(12-10-21)30(27,28)19-6-4-3-5-18(19)23(25)26/h3-8,13H,9-12,14H2,1-2H3