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

Systemtic Name: 4-[[2-[butylsulfonyl(propan-2-yl)amino]-5-methyl-phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[butylsulfonyl(isopropyl)amino]-5-methyl-phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[butylsulfonyl(propan-2-yl)amino]-5-methylphenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[butylsulfonyl(propan-2-yl)amino]-5-methylphenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[butylsulfonyl(isopropyl)amino]-5-methyl-phenoxy]methyl]benzoic acid Formula: C22H29NO5S MolecularWeight: 419.53436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO5S/c1-5-6-13-29(26,27)23(16(2)3)20-12-7-17(4)14-21(20)28-15-18-8-10-19(11-9-18)22(24)25/h7-12,14,16H,5-6,13,15H2,1-4H3,(H,24,25)