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

Systemtic Name: 4-[[2-[2-hydroxyethyl(phenylsulfonyl)amino]-5-methyl-phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[benzenesulfonyl(2-hydroxyethyl)amino]-5-methyl-phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[benzenesulfonyl(2-hydroxyethyl)amino]-5-methylphenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[benzenesulfonyl(2-hydroxyethyl)amino]-5-methylphenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[besyl(2-hydroxyethyl)amino]-5-methyl-phenoxy]methyl]benzoic acid Formula: C23H23NO6S MolecularWeight: 441.49682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23NO6S/c1-17-7-12-21(24(13-14-25)31(28,29)20-5-3-2-4-6-20)22(15-17)30-16-18-8-10-19(11-9-18)23(26)27/h2-12,15,25H,13-14,16H2,1H3,(H,26,27)