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

Systemtic Name: [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methoxy-4-methylsulfanyl-phenyl)methanone Openeye Name: [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methoxy-4-methylsulfanyl-phenyl)methanone CAS Name: [4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-[2-methoxy-4-(methylthio)phenyl]methanone IUPAC Name: [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methoxy-4-methylsulfanylphenyl)methanone Traditional Name: [4-(2,4-dimethylphenyl)sulfonylpiperazino]-[2-methoxy-4-(methylthio)phenyl]methanone Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=C(C=C3)SC)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=C(C=C3)SC)OC)C

InChI

InChI=1S/C21H26N2O4S2/c1-15-5-8-20(16(2)13-15)29(25,26)23-11-9-22(10-12-23)21(24)18-7-6-17(28-4)14-19(18)27-3/h5-8,13-14H,9-12H2,1-4H3