phenyl 4-[1-(4-ethylphenyl)-2-[(2-hydroxyphenyl)amino]ethyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[1-(4-ethylphenyl)-2-[(2-hydroxyphenyl)amino]ethyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[1-(4-ethylphenyl)-2-(2-hydroxyanilino)ethyl]piperazine-2-sulfonate CAS Name: 4-[1-(4-ethylphenyl)-2-(2-hydroxyanilino)ethyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[1-(4-ethylphenyl)-2-(2-hydroxyanilino)ethyl]piperazine-2-sulfonate Traditional Name: 4-[1-(4-ethylphenyl)-2-(2-hydroxyanilino)ethyl]piperazine-2-sulfonic acid phenyl ester Formula: C26H31N3O4S MolecularWeight: 481.60704

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CNC2=CC=CC=C2O)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C(CNC2=CC=CC=C2O)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C26H31N3O4S/c1-2-20-12-14-21(15-13-20)24(18-28-23-10-6-7-11-25(23)30)29-17-16-27-26(19-29)34(31,32)33-22-8-4-3-5-9-22/h3-15,24,26-28,30H,2,16-19H2,1H3