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

Systemtic Name: 4-[[5-methyl-2-[phenylsulfonyl(propan-2-yl)amino]phenoxy]methyl]-2-oxidanyl-benzoic acid Openeye Name: 4-[[2-[benzenesulfonyl(isopropyl)amino]-5-methyl-phenoxy]methyl]-2-hydroxy-benzoic acid CAS Name: 4-[[2-[benzenesulfonyl(propan-2-yl)amino]-5-methylphenoxy]methyl]-2-hydroxybenzoic acid IUPAC Name: 4-[[2-[benzenesulfonyl(propan-2-yl)amino]-5-methylphenoxy]methyl]-2-hydroxybenzoic acid Traditional Name: 4-[[2-[besyl(isopropyl)amino]-5-methyl-phenoxy]methyl]-2-hydroxy-benzoic acid Formula: C24H25NO6S MolecularWeight: 455.5234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(C(C)C)S(=O)(=O)C2=CC=CC=C2)OCC3=CC(=C(C=C3)C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)N(C(C)C)S(=O)(=O)C2=CC=CC=C2)OCC3=CC(=C(C=C3)C(=O)O)O

InChI

InChI=1S/C24H25NO6S/c1-16(2)25(32(29,30)19-7-5-4-6-8-19)21-12-9-17(3)13-23(21)31-15-18-10-11-20(24(27)28)22(26)14-18/h4-14,16,26H,15H2,1-3H3,(H,27,28)