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

Systemtic Name: phenyl 4-[2-[(2-hydroxyphenyl)amino]-1-(4-propylphenyl)ethyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(2-hydroxyanilino)-1-(4-propylphenyl)ethyl]piperazine-2-sulfonate CAS Name: 4-[2-(2-hydroxyanilino)-1-(4-propylphenyl)ethyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(2-hydroxyanilino)-1-(4-propylphenyl)ethyl]piperazine-2-sulfonate Traditional Name: 4-[2-(2-hydroxyanilino)-1-(4-propylphenyl)ethyl]piperazine-2-sulfonic acid phenyl ester Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(CNC2=CC=CC=C2O)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CCCC1=CC=C(C=C1)C(CNC2=CC=CC=C2O)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C27H33N3O4S/c1-2-8-21-13-15-22(16-14-21)25(19-29-24-11-6-7-12-26(24)31)30-18-17-28-27(20-30)35(32,33)34-23-9-4-3-5-10-23/h3-7,9-16,25,27-29,31H,2,8,17-20H2,1H3