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

Systemtic Name: 4-[[2-[methyl(phenylsulfonyl)amino]-5-propan-2-yl-phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[benzenesulfonyl(methyl)amino]-5-isopropyl-phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[benzenesulfonyl(methyl)amino]-5-propan-2-ylphenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[benzenesulfonyl(methyl)amino]-5-propan-2-ylphenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[besyl(methyl)amino]-5-isopropyl-phenoxy]methyl]benzoic acid Formula: C24H25NO5S MolecularWeight: 439.524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)N(C)S(=O)(=O)C2=CC=CC=C2)OCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)N(C)S(=O)(=O)C2=CC=CC=C2)OCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C24H25NO5S/c1-17(2)20-13-14-22(25(3)31(28,29)21-7-5-4-6-8-21)23(15-20)30-16-18-9-11-19(12-10-18)24(26)27/h4-15,17H,16H2,1-3H3,(H,26,27)