(2-methoxy-4-methylsulfanyl-phenyl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (2-methoxy-4-methylsulfanyl-phenyl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-(2-methoxy-4-methylsulfanyl-phenyl)methanone CAS Name: [2-methoxy-4-(methylthio)phenyl]-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-(2-methoxy-4-methylsulfanylphenyl)methanone Traditional Name: (4-benzylsulfonylpiperazino)-[2-methoxy-4-(methylthio)phenyl]methanone Formula: C20H24N2O4S2 MolecularWeight: 420.54556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O4S2/c1-26-19-14-17(27-2)8-9-18(19)20(23)21-10-12-22(13-11-21)28(24,25)15-16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3