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

Systemtic Name: 4-[[2-(phenylsulfonylamino)-5-propan-2-yl-phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-(benzenesulfonamido)-5-isopropyl-phenoxy]methyl]benzoic acid CAS Name: 4-[[2-(benzenesulfonamido)-5-propan-2-ylphenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-(benzenesulfonamido)-5-propan-2-ylphenoxy]methyl]benzoic acid Traditional Name: 4-[[2-(benzenesulfonamido)-5-isopropyl-phenoxy]methyl]benzoic acid Formula: C23H23NO5S MolecularWeight: 425.49742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23NO5S/c1-16(2)19-12-13-21(24-30(27,28)20-6-4-3-5-7-20)22(14-19)29-15-17-8-10-18(11-9-17)23(25)26/h3-14,16,24H,15H2,1-2H3,(H,25,26)