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

Systemtic Name: 4-[[5-methyl-2-[phenethylsulfonyl(propan-2-yl)amino]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[isopropyl(phenethylsulfonyl)amino]-5-methyl-phenoxy]methyl]benzoic acid CAS Name: 4-[[5-methyl-2-[phenethylsulfonyl(propan-2-yl)amino]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[5-methyl-2-[phenethylsulfonyl(propan-2-yl)amino]phenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[isopropyl(phenethylsulfonyl)amino]-5-methyl-phenoxy]methyl]benzoic acid Formula: C26H29NO5S MolecularWeight: 467.57716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(C(C)C)S(=O)(=O)CCC2=CC=CC=C2)OCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)N(C(C)C)S(=O)(=O)CCC2=CC=CC=C2)OCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C26H29NO5S/c1-19(2)27(33(30,31)16-15-21-7-5-4-6-8-21)24-14-9-20(3)17-25(24)32-18-22-10-12-23(13-11-22)26(28)29/h4-14,17,19H,15-16,18H2,1-3H3,(H,28,29)