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

Systemtic Name: phenyl 4-[1-(3-methylsulfanylpiperazin-1-yl)-2-(phenylsulfonylamino)ethyl]benzenesulfonate Openeye Name: phenyl 4-[2-(benzenesulfonamido)-1-(3-methylsulfanylpiperazin-1-yl)ethyl]benzenesulfonate CAS Name: 4-[2-(benzenesulfonamido)-1-[3-(methylthio)-1-piperazinyl]ethyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(benzenesulfonamido)-1-(3-methylsulfanylpiperazin-1-yl)ethyl]benzenesulfonate Traditional Name: 4-[2-(benzenesulfonamido)-1-[3-(methylthio)piperazino]ethyl]benzenesulfonic acid phenyl ester Formula: C25H29N3O5S3 MolecularWeight: 547.70986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O5S3/c1-34-25-19-28(17-16-26-25)24(18-27-35(29,30)22-10-6-3-7-11-22)20-12-14-23(15-13-20)36(31,32)33-21-8-4-2-5-9-21/h2-15,24-27H,16-19H2,1H3