phenyl 4-[2-(methylsulfanylamino)-1-(3-methylsulfanylpiperazin-1-yl)ethyl]benzenesulfonate

Systemtic Name: phenyl 4-[2-(methylsulfanylamino)-1-(3-methylsulfanylpiperazin-1-yl)ethyl]benzenesulfonate Openeye Name: phenyl 4-[2-(methylsulfanylamino)-1-(3-methylsulfanylpiperazin-1-yl)ethyl]benzenesulfonate CAS Name: 4-[2-[(methylthio)amino]-1-[3-(methylthio)-1-piperazinyl]ethyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(methylsulfanylamino)-1-(3-methylsulfanylpiperazin-1-yl)ethyl]benzenesulfonate Traditional Name: 4-[2-[(methylthio)amino]-1-[3-(methylthio)piperazino]ethyl]benzenesulfonic acid phenyl ester Formula: C20H27N3O3S3 MolecularWeight: 453.64168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3S3/c1-27-20-15-23(13-12-21-20)19(14-22-28-2)16-8-10-18(11-9-16)29(24,25)26-17-6-4-3-5-7-17/h3-11,19-22H,12-15H2,1-2H3