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

Systemtic Name: 1-[[3-(dimethylsulfamoyl)phenyl]methyl]-5-[(2-oxidanyl-2-phenoxy-propyl)amino]-3-propyl-indole-2-carboxylic acid Openeye Name: 1-[[3-(dimethylsulfamoyl)phenyl]methyl]-5-[(2-hydroxy-2-phenoxy-propyl)amino]-3-propyl-indole-2-carboxylic acid CAS Name: 1-[[3-(dimethylsulfamoyl)phenyl]methyl]-5-[(2-hydroxy-2-phenoxypropyl)amino]-3-propyl-2-indolecarboxylic acid IUPAC Name: 1-[[3-(dimethylsulfamoyl)phenyl]methyl]-5-[(2-hydroxy-2-phenoxypropyl)amino]-3-propylindole-2-carboxylic acid Traditional Name: 1-[3-(dimethylsulfamoyl)benzyl]-5-[(2-hydroxy-2-phenoxy-propyl)amino]-3-propyl-indole-2-carboxylic acid Formula: C30H35N3O6S MolecularWeight: 565.6804

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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)N(C)C)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)N(C)C)C(=O)O

InChI

InChI=1S/C30H35N3O6S/c1-5-10-25-26-18-22(31-20-30(2,36)39-23-12-7-6-8-13-23)15-16-27(26)33(28(25)29(34)35)19-21-11-9-14-24(17-21)40(37,38)32(3)4/h6-9,11-18,31,36H,5,10,19-20H2,1-4H3,(H,34,35)