[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-methylsulfanyl-3-nitro-phenyl)methanone

Systemtic Name: [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-methylsulfanyl-3-nitro-phenyl)methanone Openeye Name: (4-methylsulfanyl-3-nitro-phenyl)-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: [4-(4-methylphenyl)sulfonyl-1-piperazinyl]-[4-(methylthio)-3-nitrophenyl]methanone IUPAC Name: [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-methylsulfanyl-3-nitrophenyl)methanone Traditional Name: [4-(methylthio)-3-nitro-phenyl]-(4-tosylpiperazino)methanone Formula: C19H21N3O5S2 MolecularWeight: 435.51714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O5S2/c1-14-3-6-16(7-4-14)29(26,27)21-11-9-20(10-12-21)19(23)15-5-8-18(28-2)17(13-15)22(24)25/h3-8,13H,9-12H2,1-2H3