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

Systemtic Name: phenyl 3-[3-(2-hydroxyphenyl)piperazin-1-yl]-4-[(2-hydroxyphenyl)sulfonylamino]benzenesulfonate Openeye Name: phenyl 3-[3-(2-hydroxyphenyl)piperazin-1-yl]-4-[(2-hydroxyphenyl)sulfonylamino]benzenesulfonate CAS Name: 3-[3-(2-hydroxyphenyl)-1-piperazinyl]-4-[(2-hydroxyphenyl)sulfonylamino]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-[3-(2-hydroxyphenyl)piperazin-1-yl]-4-[(2-hydroxyphenyl)sulfonylamino]benzenesulfonate Traditional Name: 3-[3-(2-hydroxyphenyl)piperazino]-4-[(2-hydroxyphenyl)sulfonylamino]benzenesulfonic acid phenyl ester Formula: C28H27N3O7S2 MolecularWeight: 581.65988

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)C2=CC=CC=C2O)C3=C(C=CC(=C3)S(=O)(=O)OC4=CC=CC=C4)NS(=O)(=O)C5=CC=CC=C5O

Isomeric SMILES

C1CN(CC(N1)C2=CC=CC=C2O)C3=C(C=CC(=C3)S(=O)(=O)OC4=CC=CC=C4)NS(=O)(=O)C5=CC=CC=C5O

InChI

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