4-[[2-[2,2-dimethylpropyl(phenylsulfonyl)amino]-4-methyl-phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[2-[2,2-dimethylpropyl(phenylsulfonyl)amino]-4-methyl-phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[benzenesulfonyl(2,2-dimethylpropyl)amino]-4-methyl-phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[benzenesulfonyl(2,2-dimethylpropyl)amino]-4-methylphenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[benzenesulfonyl(2,2-dimethylpropyl)amino]-4-methylphenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[besyl(neopentyl)amino]-4-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)OCC2=CC=C(C=C2)C(=O)O)N(CC(C)(C)C)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OCC2=CC=C(C=C2)C(=O)O)N(CC(C)(C)C)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H29NO5S/c1-19-10-15-24(32-17-20-11-13-21(14-12-20)25(28)29)23(16-19)27(18-26(2,3)4)33(30,31)22-8-6-5-7-9-22/h5-16H,17-18H2,1-4H3,(H,28,29)