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

Systemtic Name: 4-[[2-[ethylsulfonyl(2-methylpropyl)amino]-4-methyl-phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[ethylsulfonyl(isobutyl)amino]-4-methyl-phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[ethylsulfonyl(2-methylpropyl)amino]-4-methylphenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[ethylsulfonyl(2-methylpropyl)amino]-4-methylphenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[esyl(isobutyl)amino]-4-methyl-phenoxy]methyl]benzoic acid Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO5S/c1-5-28(25,26)22(13-15(2)3)19-12-16(4)6-11-20(19)27-14-17-7-9-18(10-8-17)21(23)24/h6-12,15H,5,13-14H2,1-4H3,(H,23,24)