1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-ethanone

Systemtic Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-ethanone Openeye Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-ethanone CAS Name: 1-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-2-[(4-nitrophenyl)thio]ethanone IUPAC Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-nitrophenyl)sulfanylethanone Traditional Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-2-[(4-nitrophenyl)thio]ethanone Formula: C20H23N3O5S2 MolecularWeight: 449.54372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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