phenyl 3-(3-methylsulfanylpiperazin-1-yl)-4-[(phenylmethyl)sulfonylamino]benzenesulfonate

Systemtic Name: phenyl 3-(3-methylsulfanylpiperazin-1-yl)-4-[(phenylmethyl)sulfonylamino]benzenesulfonate Openeye Name: phenyl 4-(benzylsulfonylamino)-3-(3-methylsulfanylpiperazin-1-yl)benzenesulfonate CAS Name: 3-[3-(methylthio)-1-piperazinyl]-4-[(phenylmethyl)sulfonylamino]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(benzylsulfonylamino)-3-(3-methylsulfanylpiperazin-1-yl)benzenesulfonate Traditional Name: 4-(benzylsulfonylamino)-3-[3-(methylthio)piperazino]benzenesulfonic acid phenyl ester Formula: C24H27N3O5S3 MolecularWeight: 533.68328

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Descriptors Computed from Structure

Canonical SMILES:

CSC1CN(CCN1)C2=C(C=CC(=C2)S(=O)(=O)OC3=CC=CC=C3)NS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CSC1CN(CCN1)C2=C(C=CC(=C2)S(=O)(=O)OC3=CC=CC=C3)NS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O5S3/c1-33-24-17-27(15-14-25-24)23-16-21(35(30,31)32-20-10-6-3-7-11-20)12-13-22(23)26-34(28,29)18-19-8-4-2-5-9-19/h2-13,16,24-26H,14-15,17-18H2,1H3