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

Systemtic Name: 4-[[4-chloranyl-5-methyl-2-(phenylsulfonylamino)phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-(benzenesulfonamido)-4-chloro-5-methyl-phenoxy]methyl]benzoic acid CAS Name: 4-[[2-(benzenesulfonamido)-4-chloro-5-methylphenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-(benzenesulfonamido)-4-chloro-5-methylphenoxy]methyl]benzoic acid Traditional Name: 4-[[2-(benzenesulfonamido)-4-chloro-5-methyl-phenoxy]methyl]benzoic acid Formula: C21H18ClNO5S MolecularWeight: 431.88932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)NS(=O)(=O)C2=CC=CC=C2)OCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1Cl)NS(=O)(=O)C2=CC=CC=C2)OCC3=CC=C(C=C3)C(=O)O

InChI

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