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

Systemtic Name: phenyl 3-ethyl-4-[3-(2-hydroxyphenyl)piperazin-1-yl]benzenesulfonate Openeye Name: phenyl 3-ethyl-4-[3-(2-hydroxyphenyl)piperazin-1-yl]benzenesulfonate CAS Name: 3-ethyl-4-[3-(2-hydroxyphenyl)-1-piperazinyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-ethyl-4-[3-(2-hydroxyphenyl)piperazin-1-yl]benzenesulfonate Traditional Name: 3-ethyl-4-[3-(2-hydroxyphenyl)piperazino]benzenesulfonic acid phenyl ester Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)C4=CC=CC=C4O

Isomeric SMILES

CCC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)C4=CC=CC=C4O

InChI

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