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

Systemtic Name: phenyl 4-[2-ethyl-4-(2-hydroxyphenyl)phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-ethyl-4-(2-hydroxyphenyl)phenyl]piperazine-2-sulfonate CAS Name: 4-[2-ethyl-4-(2-hydroxyphenyl)phenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-ethyl-4-(2-hydroxyphenyl)phenyl]piperazine-2-sulfonate Traditional Name: 4-[2-ethyl-4-(2-hydroxyphenyl)phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C2=CC=CC=C2O)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C=CC(=C1)C2=CC=CC=C2O)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C24H26N2O4S/c1-2-18-16-19(21-10-6-7-11-23(21)27)12-13-22(18)26-15-14-25-24(17-26)31(28,29)30-20-8-4-3-5-9-20/h3-13,16,24-25,27H,2,14-15,17H2,1H3