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

Systemtic Name: 1-[[3-(methylsulfamoyl)phenyl]methyl]-5-[(2-oxidanyl-2-phenoxy-propyl)amino]-3-propyl-indole-2-carboxylic acid Openeye Name: 5-[(2-hydroxy-2-phenoxy-propyl)amino]-1-[[3-(methylsulfamoyl)phenyl]methyl]-3-propyl-indole-2-carboxylic acid CAS Name: 5-[(2-hydroxy-2-phenoxypropyl)amino]-1-[[3-(methylsulfamoyl)phenyl]methyl]-3-propyl-2-indolecarboxylic acid IUPAC Name: 5-[(2-hydroxy-2-phenoxypropyl)amino]-1-[[3-(methylsulfamoyl)phenyl]methyl]-3-propylindole-2-carboxylic acid Traditional Name: 5-[(2-hydroxy-2-phenoxy-propyl)amino]-1-[3-(methylsulfamoyl)benzyl]-3-propyl-indole-2-carboxylic acid Formula: C29H33N3O6S MolecularWeight: 551.65382

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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(=CC=C4)S(=O)(=O)NC)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C29H33N3O6S/c1-4-9-24-25-17-21(31-19-29(2,35)38-22-11-6-5-7-12-22)14-15-26(25)32(27(24)28(33)34)18-20-10-8-13-23(16-20)39(36,37)30-3/h5-8,10-17,30-31,35H,4,9,18-19H2,1-3H3,(H,33,34)