4-[[5-fluoranyl-2-[phenylsulfonyl(propan-2-yl)amino]phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[5-fluoranyl-2-[phenylsulfonyl(propan-2-yl)amino]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[benzenesulfonyl(isopropyl)amino]-5-fluoro-phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[benzenesulfonyl(propan-2-yl)amino]-5-fluorophenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[benzenesulfonyl(propan-2-yl)amino]-5-fluorophenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[besyl(isopropyl)amino]-5-fluoro-phenoxy]methyl]benzoic acid Formula: C23H22FNO5S MolecularWeight: 443.487883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=C(C=C(C=C1)F)OCC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)N(C1=C(C=C(C=C1)F)OCC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H22FNO5S/c1-16(2)25(31(28,29)20-6-4-3-5-7-20)21-13-12-19(24)14-22(21)30-15-17-8-10-18(11-9-17)23(26)27/h3-14,16H,15H2,1-2H3,(H,26,27)