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

Systemtic Name: 4-[[2-[hexylsulfonyl(propan-2-yl)amino]-5-methyl-phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[hexylsulfonyl(isopropyl)amino]-5-methyl-phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[hexylsulfonyl(propan-2-yl)amino]-5-methylphenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[hexylsulfonyl(propan-2-yl)amino]-5-methylphenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[hexylsulfonyl(isopropyl)amino]-5-methyl-phenoxy]methyl]benzoic acid Formula: C24H33NO5S MolecularWeight: 447.58752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33NO5S/c1-5-6-7-8-15-31(28,29)25(18(2)3)22-14-9-19(4)16-23(22)30-17-20-10-12-21(13-11-20)24(26)27/h9-14,16,18H,5-8,15,17H2,1-4H3,(H,26,27)