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

Systemtic Name: phenyl 4-[1-(3-methylsulfanylpiperazin-1-yl)-2-(phenoxysulfonylamino)ethyl]benzenesulfonate Openeye Name: phenyl 4-[1-(3-methylsulfanylpiperazin-1-yl)-2-(phenoxysulfonylamino)ethyl]benzenesulfonate CAS Name: 4-[1-[3-(methylthio)-1-piperazinyl]-2-(phenoxysulfonylamino)ethyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[1-(3-methylsulfanylpiperazin-1-yl)-2-(phenoxysulfonylamino)ethyl]benzenesulfonate Traditional Name: 4-[1-[3-(methylthio)piperazino]-2-(phenoxysulfonylamino)ethyl]benzenesulfonic acid phenyl ester Formula: C25H29N3O6S3 MolecularWeight: 563.70926

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Descriptors Computed from Structure

Canonical SMILES:

CSC1CN(CCN1)C(CNS(=O)(=O)OC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CSC1CN(CCN1)C(CNS(=O)(=O)OC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O6S3/c1-35-25-19-28(17-16-26-25)24(18-27-37(31,32)34-22-10-6-3-7-11-22)20-12-14-23(15-13-20)36(29,30)33-21-8-4-2-5-9-21/h2-15,24-27H,16-19H2,1H3