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

Systemtic Name: phenyl 4-[2-(ethoxyamino)-1-[4-(2-hydroxyphenyl)phenyl]ethyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(ethoxyamino)-1-[4-(2-hydroxyphenyl)phenyl]ethyl]piperazine-2-sulfonate CAS Name: 4-[2-(ethoxyamino)-1-[4-(2-hydroxyphenyl)phenyl]ethyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(ethoxyamino)-1-[4-(2-hydroxyphenyl)phenyl]ethyl]piperazine-2-sulfonate Traditional Name: 4-[2-(ethoxyamino)-1-[4-(2-hydroxyphenyl)phenyl]ethyl]piperazine-2-sulfonic acid phenyl ester Formula: C26H31N3O5S MolecularWeight: 497.60644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O5S/c1-2-33-28-18-24(21-14-12-20(13-15-21)23-10-6-7-11-25(23)30)29-17-16-27-26(19-29)35(31,32)34-22-8-4-3-5-9-22/h3-15,24,26-28,30H,2,16-19H2,1H3