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

Systemtic Name: 4-[[5-methyl-2-[methyl(phenylsulfonyl)amino]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[benzenesulfonyl(methyl)amino]-5-methyl-phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[benzenesulfonyl(methyl)amino]-5-methylphenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[benzenesulfonyl(methyl)amino]-5-methylphenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[besyl(methyl)amino]-5-methyl-phenoxy]methyl]benzoic acid Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H21NO5S/c1-16-8-13-20(23(2)29(26,27)19-6-4-3-5-7-19)21(14-16)28-15-17-9-11-18(12-10-17)22(24)25/h3-14H,15H2,1-2H3,(H,24,25)