phenyl 3-[3-(2-hydroxyphenyl)piperazin-1-yl]-4-(methylsulfanylsulfonylamino)benzenesulfonate

Systemtic Name: phenyl 3-[3-(2-hydroxyphenyl)piperazin-1-yl]-4-(methylsulfanylsulfonylamino)benzenesulfonate Openeye Name: phenyl 3-[3-(2-hydroxyphenyl)piperazin-1-yl]-4-(methylsulfanylsulfonylamino)benzenesulfonate CAS Name: 3-[3-(2-hydroxyphenyl)-1-piperazinyl]-4-[(methylthio)sulfonylamino]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-[3-(2-hydroxyphenyl)piperazin-1-yl]-4-(methylsulfanylsulfonylamino)benzenesulfonate Traditional Name: 3-[3-(2-hydroxyphenyl)piperazino]-4-[(methylthio)sulfonylamino]benzenesulfonic acid phenyl ester Formula: C23H25N3O6S3 MolecularWeight: 535.6561

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Descriptors Computed from Structure

Canonical SMILES:

CSS(=O)(=O)NC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)C4=CC=CC=C4O

Isomeric SMILES

CSS(=O)(=O)NC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)C4=CC=CC=C4O

InChI

InChI=1S/C23H25N3O6S3/c1-33-35(30,31)25-20-12-11-18(34(28,29)32-17-7-3-2-4-8-17)15-22(20)26-14-13-24-21(16-26)19-9-5-6-10-23(19)27/h2-12,15,21,24-25,27H,13-14,16H2,1H3