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

Systemtic Name: phenyl 4-[2-[(2-hydroxyphenyl)amino]-1-(4-methylphenyl)ethyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(2-hydroxyanilino)-1-(p-tolyl)ethyl]piperazine-2-sulfonate CAS Name: 4-[2-(2-hydroxyanilino)-1-(4-methylphenyl)ethyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(2-hydroxyanilino)-1-(4-methylphenyl)ethyl]piperazine-2-sulfonate Traditional Name: 4-[2-(2-hydroxyanilino)-1-(p-tolyl)ethyl]piperazine-2-sulfonic acid phenyl ester Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNC2=CC=CC=C2O)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(CNC2=CC=CC=C2O)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O4S/c1-19-11-13-20(14-12-19)23(17-27-22-9-5-6-10-24(22)29)28-16-15-26-25(18-28)33(30,31)32-21-7-3-2-4-8-21/h2-14,23,25-27,29H,15-18H2,1H3