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

Systemtic Name: 4-[[4-chloranyl-2-[2-methoxyethyl(phenylsulfonyl)amino]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[benzenesulfonyl(2-methoxyethyl)amino]-4-chloro-phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[benzenesulfonyl(2-methoxyethyl)amino]-4-chlorophenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[benzenesulfonyl(2-methoxyethyl)amino]-4-chlorophenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[besyl(2-methoxyethyl)amino]-4-chloro-phenoxy]methyl]benzoic acid Formula: C23H22ClNO6S MolecularWeight: 475.94188

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(C1=C(C=CC(=C1)Cl)OCC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COCCN(C1=C(C=CC(=C1)Cl)OCC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H22ClNO6S/c1-30-14-13-25(32(28,29)20-5-3-2-4-6-20)21-15-19(24)11-12-22(21)31-16-17-7-9-18(10-8-17)23(26)27/h2-12,15H,13-14,16H2,1H3,(H,26,27)