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

Systemtic Name: phenyl 4-[5-(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)sulfonylamino]phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[5-(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)sulfonylamino]phenyl]piperazine-2-sulfonate CAS Name: 4-[5-(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)sulfonylamino]phenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[5-(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)sulfonylamino]phenyl]piperazine-2-sulfonate Traditional Name: 4-[5-(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)sulfonylamino]phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C28H27N3O7S2 MolecularWeight: 581.65988

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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)C5=CC=CC=C5O

Isomeric SMILES

C1CN(CC(N1)S(=O)(=O)OC2=CC=CC=C2)C3=C(C=CC(=C3)C4=CC=CC=C4O)NS(=O)(=O)C5=CC=CC=C5O

InChI

InChI=1S/C28H27N3O7S2/c32-25-11-5-4-10-22(25)20-14-15-23(30-39(34,35)27-13-7-6-12-26(27)33)24(18-20)31-17-16-29-28(19-31)40(36,37)38-21-8-2-1-3-9-21/h1-15,18,28-30,32-33H,16-17,19H2