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

Systemtic Name: 4-[[2-[carboxymethyl(phenylsulfonyl)amino]-4-chloranyl-phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[benzenesulfonyl(carboxymethyl)amino]-4-chloro-phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[benzenesulfonyl(carboxymethyl)amino]-4-chlorophenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[benzenesulfonyl(carboxymethyl)amino]-4-chlorophenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[besyl(carboxymethyl)amino]-4-chloro-phenoxy]methyl]benzoic acid Formula: C22H18ClNO7S MolecularWeight: 475.89882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClNO7S/c23-17-10-11-20(31-14-15-6-8-16(9-7-15)22(27)28)19(12-17)24(13-21(25)26)32(29,30)18-4-2-1-3-5-18/h1-12H,13-14H2,(H,25,26)(H,27,28)