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

Systemtic Name: 4-[[5-chloranyl-2-[methyl(phenylsulfonyl)amino]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[benzenesulfonyl(methyl)amino]-5-chloro-phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[benzenesulfonyl(methyl)amino]-5-chlorophenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[benzenesulfonyl(methyl)amino]-5-chlorophenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[besyl(methyl)amino]-5-chloro-phenoxy]methyl]benzoic acid Formula: C21H18ClNO5S MolecularWeight: 431.88932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClNO5S/c1-23(29(26,27)18-5-3-2-4-6-18)19-12-11-17(22)13-20(19)28-14-15-7-9-16(10-8-15)21(24)25/h2-13H,14H2,1H3,(H,24,25)