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

Systemtic Name: 4-[[5-methyl-2-(phenylsulfonylamino)phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-(benzenesulfonamido)-5-methyl-phenoxy]methyl]benzoic acid CAS Name: 4-[[2-(benzenesulfonamido)-5-methylphenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-(benzenesulfonamido)-5-methylphenoxy]methyl]benzoic acid Traditional Name: 4-[[2-(benzenesulfonamido)-5-methyl-phenoxy]methyl]benzoic acid Formula: C21H19NO5S MolecularWeight: 397.44426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC=C2)OCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC=C2)OCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H19NO5S/c1-15-7-12-19(22-28(25,26)18-5-3-2-4-6-18)20(13-15)27-14-16-8-10-17(11-9-16)21(23)24/h2-13,22H,14H2,1H3,(H,23,24)