(2-methoxy-4-methylsulfanyl-phenyl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (2-methoxy-4-methylsulfanyl-phenyl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (2-methoxy-4-methylsulfanyl-phenyl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [2-methoxy-4-(methylthio)phenyl]-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (2-methoxy-4-methylsulfanylphenyl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (4-mesitylsulfonylpiperazino)-[2-methoxy-4-(methylthio)phenyl]methanone Formula: C22H28N2O4S2 MolecularWeight: 448.59872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4S2/c1-15-12-16(2)21(17(3)13-15)30(26,27)24-10-8-23(9-11-24)22(25)19-7-6-18(29-5)14-20(19)28-4/h6-7,12-14H,8-11H2,1-5H3