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

Systemtic Name: 4-[[2-[butylsulfonyl(2-methylpropyl)amino]-4-methyl-phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[butylsulfonyl(isobutyl)amino]-4-methyl-phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[butylsulfonyl(2-methylpropyl)amino]-4-methylphenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[butylsulfonyl(2-methylpropyl)amino]-4-methylphenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[butylsulfonyl(isobutyl)amino]-4-methyl-phenoxy]methyl]benzoic acid Formula: C23H31NO5S MolecularWeight: 433.56094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO5S/c1-5-6-13-30(27,28)24(15-17(2)3)21-14-18(4)7-12-22(21)29-16-19-8-10-20(11-9-19)23(25)26/h7-12,14,17H,5-6,13,15-16H2,1-4H3,(H,25,26)