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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S[C@@H](C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H28N2O5S2/c1-16-5-7-18(8-6-16)30-17(2)22(25)23-11-13-24(14-12-23)31(26,27)19-9-10-20(28-3)21(15-19)29-4/h5-10,15,17H,11-14H2,1-4H3/t17-/m0/s1