5-[(2-oxidanyl-2-phenoxy-propyl)amino]-3-propyl-1-[(4-sulfamoylphenyl)methyl]indole-2-carboxylic acid

Systemtic Name: 5-[(2-oxidanyl-2-phenoxy-propyl)amino]-3-propyl-1-[(4-sulfamoylphenyl)methyl]indole-2-carboxylic acid Openeye Name: 5-[(2-hydroxy-2-phenoxy-propyl)amino]-3-propyl-1-[(4-sulfamoylphenyl)methyl]indole-2-carboxylic acid CAS Name: 5-[(2-hydroxy-2-phenoxypropyl)amino]-3-propyl-1-[(4-sulfamoylphenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 5-[(2-hydroxy-2-phenoxypropyl)amino]-3-propyl-1-[(4-sulfamoylphenyl)methyl]indole-2-carboxylic acid Traditional Name: 5-[(2-hydroxy-2-phenoxy-propyl)amino]-3-propyl-1-(4-sulfamoylbenzyl)indole-2-carboxylic acid Formula: C28H31N3O6S MolecularWeight: 537.62724

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N(C2=C1C=C(C=C2)NCC(C)(O)OC3=CC=CC=C3)CC4=CC=C(C=C4)S(=O)(=O)N)C(=O)O

Isomeric SMILES

CCCC1=C(N(C2=C1C=C(C=C2)NCC(C)(O)OC3=CC=CC=C3)CC4=CC=C(C=C4)S(=O)(=O)N)C(=O)O

InChI

InChI=1S/C28H31N3O6S/c1-3-7-23-24-16-20(30-18-28(2,34)37-21-8-5-4-6-9-21)12-15-25(24)31(26(23)27(32)33)17-19-10-13-22(14-11-19)38(29,35)36/h4-6,8-16,30,34H,3,7,17-18H2,1-2H3,(H,32,33)(H2,29,35,36)