2-[(3-methylphenyl)methylsulfanyl]-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[(3-methylphenyl)methylsulfanyl]-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(m-tolylmethylsulfanyl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-[(3-methylphenyl)methylthio]-1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-[(3-methylphenyl)methylsulfanyl]-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[(3-methylbenzyl)thio]-1-[4-(3-nitrophenyl)sulfonylpiperazino]ethanone Formula: C20H23N3O5S2 MolecularWeight: 449.54372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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