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

Systemtic Name: 4-[[5-methyl-2-[phenylsulfonyl(propan-2-yl)amino]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[benzenesulfonyl(isopropyl)amino]-5-methyl-phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[benzenesulfonyl(propan-2-yl)amino]-5-methylphenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[benzenesulfonyl(propan-2-yl)amino]-5-methylphenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[besyl(isopropyl)amino]-5-methyl-phenoxy]methyl]benzoic acid Formula: C24H25NO5S MolecularWeight: 439.524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(C(C)C)S(=O)(=O)C2=CC=CC=C2)OCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)N(C(C)C)S(=O)(=O)C2=CC=CC=C2)OCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C24H25NO5S/c1-17(2)25(31(28,29)21-7-5-4-6-8-21)22-14-9-18(3)15-23(22)30-16-19-10-12-20(13-11-19)24(26)27/h4-15,17H,16H2,1-3H3,(H,26,27)