4-[[2-[hexylsulfonyl(2-methylpropyl)amino]-4-methyl-phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[2-[hexylsulfonyl(2-methylpropyl)amino]-4-methyl-phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[hexylsulfonyl(isobutyl)amino]-4-methyl-phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[hexylsulfonyl(2-methylpropyl)amino]-4-methylphenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[hexylsulfonyl(2-methylpropyl)amino]-4-methylphenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[hexylsulfonyl(isobutyl)amino]-4-methyl-phenoxy]methyl]benzoic acid Formula: C25H35NO5S MolecularWeight: 461.6141

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCS(=O)(=O)N(CC(C)C)C1=C(C=CC(=C1)C)OCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCCCS(=O)(=O)N(CC(C)C)C1=C(C=CC(=C1)C)OCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C25H35NO5S/c1-5-6-7-8-15-32(29,30)26(17-19(2)3)23-16-20(4)9-14-24(23)31-18-21-10-12-22(13-11-21)25(27)28/h9-14,16,19H,5-8,15,17-18H2,1-4H3,(H,27,28)