3-[3-[(2-oxidanyl-3-phenoxy-propyl)amino]propyl]-1-[(4-sulfamoylphenyl)methyl]indole-2-carboxylic acid

Systemtic Name: 3-[3-[(2-oxidanyl-3-phenoxy-propyl)amino]propyl]-1-[(4-sulfamoylphenyl)methyl]indole-2-carboxylic acid Openeye Name: 3-[3-[(2-hydroxy-3-phenoxy-propyl)amino]propyl]-1-[(4-sulfamoylphenyl)methyl]indole-2-carboxylic acid CAS Name: 3-[3-[(2-hydroxy-3-phenoxypropyl)amino]propyl]-1-[(4-sulfamoylphenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 3-[3-[(2-hydroxy-3-phenoxypropyl)amino]propyl]-1-[(4-sulfamoylphenyl)methyl]indole-2-carboxylic acid Traditional Name: 3-[3-[(2-hydroxy-3-phenoxy-propyl)amino]propyl]-1-(4-sulfamoylbenzyl)indole-2-carboxylic acid Formula: C28H31N3O6S MolecularWeight: 537.62724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(CNCCCC2=C(N(C3=CC=CC=C32)CC4=CC=C(C=C4)S(=O)(=O)N)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)OCC(CNCCCC2=C(N(C3=CC=CC=C32)CC4=CC=C(C=C4)S(=O)(=O)N)C(=O)O)O

InChI

InChI=1S/C28H31N3O6S/c29-38(35,36)23-14-12-20(13-15-23)18-31-26-11-5-4-9-24(26)25(27(31)28(33)34)10-6-16-30-17-21(32)19-37-22-7-2-1-3-8-22/h1-5,7-9,11-15,21,30,32H,6,10,16-19H2,(H,33,34)(H2,29,35,36)