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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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