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

Systemtic Name: 4-[[4-methyl-2-[2-methylpropyl(pentylsulfonyl)amino]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[isobutyl(pentylsulfonyl)amino]-4-methyl-phenoxy]methyl]benzoic acid CAS Name: 4-[[4-methyl-2-[2-methylpropyl(pentylsulfonyl)amino]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-methyl-2-[2-methylpropyl(pentylsulfonyl)amino]phenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[amylsulfonyl(isobutyl)amino]-4-methyl-phenoxy]methyl]benzoic acid Formula: C24H33NO5S MolecularWeight: 447.58752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33NO5S/c1-5-6-7-14-31(28,29)25(16-18(2)3)22-15-19(4)8-13-23(22)30-17-20-9-11-21(12-10-20)24(26)27/h8-13,15,18H,5-7,14,16-17H2,1-4H3,(H,26,27)