[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone

Systemtic Name: [4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone Openeye Name: [4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone CAS Name: [4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]-[4-[(methylthio)methyl]phenyl]methanone IUPAC Name: [4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone Traditional Name: [4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]-[4-[(methylthio)methyl]phenyl]methanone Formula: C20H23N3O6S2 MolecularWeight: 465.54312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O6S2/c1-29-19-8-7-17(13-18(19)23(25)26)31(27,28)22-11-9-21(10-12-22)20(24)16-5-3-15(4-6-16)14-30-2/h3-8,13H,9-12,14H2,1-2H3