phenyl 4-[2-(chloranylsulfonylamino)-5-(2-hydroxyphenyl)phenyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[2-(chloranylsulfonylamino)-5-(2-hydroxyphenyl)phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(chlorosulfonylamino)-5-(2-hydroxyphenyl)phenyl]piperazine-2-sulfonate CAS Name: 4-[2-(chlorosulfonylamino)-5-(2-hydroxyphenyl)phenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(chlorosulfonylamino)-5-(2-hydroxyphenyl)phenyl]piperazine-2-sulfonate Traditional Name: 4-[2-(chlorosulfonylamino)-5-(2-hydroxyphenyl)phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C22H22ClN3O6S2 MolecularWeight: 524.00958

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)S(=O)(=O)OC2=CC=CC=C2)C3=C(C=CC(=C3)C4=CC=CC=C4O)NS(=O)(=O)Cl

Isomeric SMILES

C1CN(CC(N1)S(=O)(=O)OC2=CC=CC=C2)C3=C(C=CC(=C3)C4=CC=CC=C4O)NS(=O)(=O)Cl

InChI

InChI=1S/C22H22ClN3O6S2/c23-34(30,31)25-19-11-10-16(18-8-4-5-9-21(18)27)14-20(19)26-13-12-24-22(15-26)33(28,29)32-17-6-2-1-3-7-17/h1-11,14,22,24-25,27H,12-13,15H2