(2-methoxy-4-methylsulfanyl-phenyl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: (2-methoxy-4-methylsulfanyl-phenyl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-(2-methoxy-4-methylsulfanyl-phenyl)methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-[2-methoxy-4-(methylthio)phenyl]methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-(2-methoxy-4-methylsulfanylphenyl)methanone Traditional Name: (4-besylpiperazino)-[2-methoxy-4-(methylthio)phenyl]methanone Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H22N2O4S2/c1-25-18-14-15(26-2)8-9-17(18)19(22)20-10-12-21(13-11-20)27(23,24)16-6-4-3-5-7-16/h3-9,14H,10-13H2,1-2H3