phenyl 4-[4-ethoxy-2-(2-hydroxyphenyl)phenyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[4-ethoxy-2-(2-hydroxyphenyl)phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[4-ethoxy-2-(2-hydroxyphenyl)phenyl]piperazine-2-sulfonate CAS Name: 4-[4-ethoxy-2-(2-hydroxyphenyl)phenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[4-ethoxy-2-(2-hydroxyphenyl)phenyl]piperazine-2-sulfonate Traditional Name: 4-[4-ethoxy-2-(2-hydroxyphenyl)phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C24H26N2O5S MolecularWeight: 454.53864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3)C4=CC=CC=C4O

Isomeric SMILES

CCOC1=CC(=C(C=C1)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3)C4=CC=CC=C4O

InChI

InChI=1S/C24H26N2O5S/c1-2-30-19-12-13-22(21(16-19)20-10-6-7-11-23(20)27)26-15-14-25-24(17-26)32(28,29)31-18-8-4-3-5-9-18/h3-13,16,24-25,27H,2,14-15,17H2,1H3