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

Systemtic Name: phenyl 4-(3-methylsulfanylpiperazin-1-yl)-3-phenyl-benzenesulfonate Openeye Name: phenyl 4-(3-methylsulfanylpiperazin-1-yl)-3-phenyl-benzenesulfonate CAS Name: 4-[3-(methylthio)-1-piperazinyl]-3-phenylbenzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(3-methylsulfanylpiperazin-1-yl)-3-phenylbenzenesulfonate Traditional Name: 4-[3-(methylthio)piperazino]-3-phenyl-benzenesulfonic acid phenyl ester Formula: C23H24N2O3S2 MolecularWeight: 440.57826

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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)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O3S2/c1-29-23-17-25(15-14-24-23)22-13-12-20(16-21(22)18-8-4-2-5-9-18)30(26,27)28-19-10-6-3-7-11-19/h2-13,16,23-24H,14-15,17H2,1H3