1-[[3-[methyl-[2,2,2-tris(fluoranyl)ethylsulfonyl]amino]phenyl]methyl]-3-[3-[(2-oxidanyl-3-phenoxy-propyl)amino]propyl]indole-2-carboxylic acid

Systemtic Name: 1-[[3-[methyl-[2,2,2-tris(fluoranyl)ethylsulfonyl]amino]phenyl]methyl]-3-[3-[(2-oxidanyl-3-phenoxy-propyl)amino]propyl]indole-2-carboxylic acid Openeye Name: 3-[3-[(2-hydroxy-3-phenoxy-propyl)amino]propyl]-1-[[3-[methyl(2,2,2-trifluoroethylsulfonyl)amino]phenyl]methyl]indole-2-carboxylic acid CAS Name: 3-[3-[(2-hydroxy-3-phenoxypropyl)amino]propyl]-1-[[3-[methyl(2,2,2-trifluoroethylsulfonyl)amino]phenyl]methyl]-2-indolecarboxylic acid IUPAC Name: 3-[3-[(2-hydroxy-3-phenoxypropyl)amino]propyl]-1-[[3-[methyl(2,2,2-trifluoroethylsulfonyl)amino]phenyl]methyl]indole-2-carboxylic acid Traditional Name: 3-[3-[(2-hydroxy-3-phenoxy-propyl)amino]propyl]-1-[3-[methyl(2,2,2-trifluoroethylsulfonyl)amino]benzyl]indole-2-carboxylic acid Formula: C31H34F3N3O6S MolecularWeight: 633.67837

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC(=C1)CN2C3=CC=CC=C3C(=C2C(=O)O)CCCNCC(COC4=CC=CC=C4)O)S(=O)(=O)CC(F)(F)F

Isomeric SMILES

CN(C1=CC=CC(=C1)CN2C3=CC=CC=C3C(=C2C(=O)O)CCCNCC(COC4=CC=CC=C4)O)S(=O)(=O)CC(F)(F)F

InChI

InChI=1S/C31H34F3N3O6S/c1-36(44(41,42)21-31(32,33)34)23-10-7-9-22(17-23)19-37-28-15-6-5-13-26(28)27(29(37)30(39)40)14-8-16-35-18-24(38)20-43-25-11-3-2-4-12-25/h2-7,9-13,15,17,24,35,38H,8,14,16,18-21H2,1H3,(H,39,40)