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

Systemtic Name: 3-[3-[(2-oxidanyl-3-phenoxy-propyl)amino]propyl]-1-[(3-sulfamoylphenyl)methyl]indole-2-carboxylic acid Openeye Name: 3-[3-[(2-hydroxy-3-phenoxy-propyl)amino]propyl]-1-[(3-sulfamoylphenyl)methyl]indole-2-carboxylic acid CAS Name: 3-[3-[(2-hydroxy-3-phenoxypropyl)amino]propyl]-1-[(3-sulfamoylphenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 3-[3-[(2-hydroxy-3-phenoxypropyl)amino]propyl]-1-[(3-sulfamoylphenyl)methyl]indole-2-carboxylic acid Traditional Name: 3-[3-[(2-hydroxy-3-phenoxy-propyl)amino]propyl]-1-(3-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(=CC=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(=CC=C4)S(=O)(=O)N)C(=O)O)O

InChI

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