2-(3,4-dimethoxyphenyl)sulfanyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 2-(3,4-dimethoxyphenyl)sulfanyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 2-(3,4-dimethoxyphenyl)sulfanyl-1-[4-(p-tolylsulfonyl)piperazin-1-yl]propan-1-one CAS Name: 2-[(3,4-dimethoxyphenyl)thio]-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 2-(3,4-dimethoxyphenyl)sulfanyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 2-[(3,4-dimethoxyphenyl)thio]-1-(4-tosylpiperazino)propan-1-one Formula: C22H28N2O5S2 MolecularWeight: 464.59812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C(C)SC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C(C)SC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H28N2O5S2/c1-16-5-8-19(9-6-16)31(26,27)24-13-11-23(12-14-24)22(25)17(2)30-18-7-10-20(28-3)21(15-18)29-4/h5-10,15,17H,11-14H2,1-4H3