2-[(4-methylphenyl)methylsulfanyl]-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-(p-tolylmethylsulfanyl)ethanone CAS Name: 2-[(4-methylphenyl)methylthio]-1-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[(4-methylbenzyl)thio]-1-[4-(2-nitrophenyl)sulfonylpiperazino]ethanone Formula: C20H23N3O5S2 MolecularWeight: 449.54372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5S2/c1-16-6-8-17(9-7-16)14-29-15-20(24)21-10-12-22(13-11-21)30(27,28)19-5-3-2-4-18(19)23(25)26/h2-9H,10-15H2,1H3