[3-[[2-oxidanyl-4-(4-phenylbutoxy)phenyl]carbonylamino]phenyl] benzenesulfonate

Systemtic Name: [3-[[2-oxidanyl-4-(4-phenylbutoxy)phenyl]carbonylamino]phenyl] benzenesulfonate Openeye Name: [3-[[2-hydroxy-4-(4-phenylbutoxy)benzoyl]amino]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [3-[[[2-hydroxy-4-(4-phenylbutoxy)phenyl]-oxomethyl]amino]phenyl] ester IUPAC Name: [3-[[2-hydroxy-4-(4-phenylbutoxy)benzoyl]amino]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-[[2-hydroxy-4-(4-phenylbutoxy)benzoyl]amino]phenyl] ester Formula: C29H27NO6S MolecularWeight: 517.59278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCOC2=CC(=C(C=C2)C(=O)NC3=CC(=CC=C3)OS(=O)(=O)C4=CC=CC=C4)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCOC2=CC(=C(C=C2)C(=O)NC3=CC(=CC=C3)OS(=O)(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C29H27NO6S/c31-28-21-24(35-19-8-7-12-22-10-3-1-4-11-22)17-18-27(28)29(32)30-23-13-9-14-25(20-23)36-37(33,34)26-15-5-2-6-16-26/h1-6,9-11,13-18,20-21,31H,7-8,12,19H2,(H,30,32)