phenyl 2-(3-methylsulfanylpiperazin-1-yl)-5-(phenylmethyl)benzenesulfonate

Systemtic Name: phenyl 2-(3-methylsulfanylpiperazin-1-yl)-5-(phenylmethyl)benzenesulfonate Openeye Name: phenyl 5-benzyl-2-(3-methylsulfanylpiperazin-1-yl)benzenesulfonate CAS Name: 2-[3-(methylthio)-1-piperazinyl]-5-(phenylmethyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 5-benzyl-2-(3-methylsulfanylpiperazin-1-yl)benzenesulfonate Traditional Name: 5-benzyl-2-[3-(methylthio)piperazino]benzenesulfonic acid phenyl ester Formula: C24H26N2O3S2 MolecularWeight: 454.60484

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Descriptors Computed from Structure

Canonical SMILES:

CSC1CN(CCN1)C2=C(C=C(C=C2)CC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CSC1CN(CCN1)C2=C(C=C(C=C2)CC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C24H26N2O3S2/c1-30-24-18-26(15-14-25-24)22-13-12-20(16-19-8-4-2-5-9-19)17-23(22)31(27,28)29-21-10-6-3-7-11-21/h2-13,17,24-25H,14-16,18H2,1H3