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

Systemtic Name: [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-methylsulfanyl-3-nitro-phenyl)methanone Openeye Name: [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-methylsulfanyl-3-nitro-phenyl)methanone CAS Name: [4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-[4-(methylthio)-3-nitrophenyl]methanone IUPAC Name: [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-methylsulfanyl-3-nitrophenyl)methanone Traditional Name: [4-(4-methoxyphenyl)sulfonylpiperazino]-[4-(methylthio)-3-nitro-phenyl]methanone Formula: C19H21N3O6S2 MolecularWeight: 451.51654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O6S2/c1-28-15-4-6-16(7-5-15)30(26,27)21-11-9-20(10-12-21)19(23)14-3-8-18(29-2)17(13-14)22(24)25/h3-8,13H,9-12H2,1-2H3