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

Systemtic Name: 4-[[2-[ethylsulfonyl(propan-2-yl)amino]-5-methyl-phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[ethylsulfonyl(isopropyl)amino]-5-methyl-phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[ethylsulfonyl(propan-2-yl)amino]-5-methylphenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[ethylsulfonyl(propan-2-yl)amino]-5-methylphenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[esyl(isopropyl)amino]-5-methyl-phenoxy]methyl]benzoic acid Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO5S/c1-5-27(24,25)21(14(2)3)18-11-6-15(4)12-19(18)26-13-16-7-9-17(10-8-16)20(22)23/h6-12,14H,5,13H2,1-4H3,(H,22,23)