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

Systemtic Name: 4-[[5-methyl-2-[(2-methyl-2-oxidanyl-propyl)-(phenylsulfonyl)amino]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[benzenesulfonyl-(2-hydroxy-2-methyl-propyl)amino]-5-methyl-phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[benzenesulfonyl-(2-hydroxy-2-methylpropyl)amino]-5-methylphenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[benzenesulfonyl-(2-hydroxy-2-methylpropyl)amino]-5-methylphenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[besyl-(2-hydroxy-2-methyl-propyl)amino]-5-methyl-phenoxy]methyl]benzoic acid Formula: C25H27NO6S MolecularWeight: 469.54998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27NO6S/c1-18-9-14-22(23(15-18)32-16-19-10-12-20(13-11-19)24(27)28)26(17-25(2,3)29)33(30,31)21-7-5-4-6-8-21/h4-15,29H,16-17H2,1-3H3,(H,27,28)