4-[[5-methyl-2-[2-methylpropyl(propylsulfonyl)amino]phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[5-methyl-2-[2-methylpropyl(propylsulfonyl)amino]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[isobutyl(propylsulfonyl)amino]-5-methyl-phenoxy]methyl]benzoic acid CAS Name: 4-[[5-methyl-2-[2-methylpropyl(propylsulfonyl)amino]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[5-methyl-2-[2-methylpropyl(propylsulfonyl)amino]phenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[isobutyl(propylsulfonyl)amino]-5-methyl-phenoxy]methyl]benzoic acid Formula: C22H29NO5S MolecularWeight: 419.53436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO5S/c1-5-12-29(26,27)23(14-16(2)3)20-11-6-17(4)13-21(20)28-15-18-7-9-19(10-8-18)22(24)25/h6-11,13,16H,5,12,14-15H2,1-4H3,(H,24,25)