phenyl 4-(3-methylsulfanylpiperazin-1-yl)-3-(phenylsulfonyl)benzenesulfonate

Systemtic Name: phenyl 4-(3-methylsulfanylpiperazin-1-yl)-3-(phenylsulfonyl)benzenesulfonate Openeye Name: phenyl 3-(benzenesulfonyl)-4-(3-methylsulfanylpiperazin-1-yl)benzenesulfonate CAS Name: 3-(benzenesulfonyl)-4-[3-(methylthio)-1-piperazinyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-(benzenesulfonyl)-4-(3-methylsulfanylpiperazin-1-yl)benzenesulfonate Traditional Name: 3-besyl-4-[3-(methylthio)piperazino]benzenesulfonic acid phenyl ester Formula: C23H24N2O5S3 MolecularWeight: 504.64206

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Descriptors Computed from Structure

Canonical SMILES:

CSC1CN(CCN1)C2=C(C=C(C=C2)S(=O)(=O)OC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CSC1CN(CCN1)C2=C(C=C(C=C2)S(=O)(=O)OC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H24N2O5S3/c1-31-23-17-25(15-14-24-23)21-13-12-20(33(28,29)30-18-8-4-2-5-9-18)16-22(21)32(26,27)19-10-6-3-7-11-19/h2-13,16,23-24H,14-15,17H2,1H3