phenyl 3-(3-methylsulfanylpiperazin-1-yl)-4-(methylsulfanylsulfonylamino)benzenesulfonate

Systemtic Name: phenyl 3-(3-methylsulfanylpiperazin-1-yl)-4-(methylsulfanylsulfonylamino)benzenesulfonate Openeye Name: phenyl 3-(3-methylsulfanylpiperazin-1-yl)-4-(methylsulfanylsulfonylamino)benzenesulfonate CAS Name: 3-[3-(methylthio)-1-piperazinyl]-4-[(methylthio)sulfonylamino]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-(3-methylsulfanylpiperazin-1-yl)-4-(methylsulfanylsulfonylamino)benzenesulfonate Traditional Name: 3-[3-(methylthio)piperazino]-4-[(methylthio)sulfonylamino]benzenesulfonic acid phenyl ester Formula: C18H23N3O5S4 MolecularWeight: 489.65232

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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)SC

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O5S4/c1-27-18-13-21(11-10-19-18)17-12-15(8-9-16(17)20-30(24,25)28-2)29(22,23)26-14-6-4-3-5-7-14/h3-9,12,18-20H,10-11,13H2,1-2H3