phenyl 4-[(2-hydroxyphenyl)sulfonylamino]-3-(3-methylsulfanylpiperazin-1-yl)benzenesulfonate

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

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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)C4=CC=CC=C4O

Isomeric SMILES

CSC1CN(CCN1)C2=C(C=CC(=C2)S(=O)(=O)OC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC=C4O

InChI

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