3-[[1-(4-methoxyphenyl)-3-oxidanylidene-3-propan-2-yloxy-propyl]sulfamoyl]benzoic acid

Systemtic Name: 3-[[1-(4-methoxyphenyl)-3-oxidanylidene-3-propan-2-yloxy-propyl]sulfamoyl]benzoic acid Openeye Name: 3-[[3-isopropoxy-1-(4-methoxyphenyl)-3-oxo-propyl]sulfamoyl]benzoic acid CAS Name: 3-[[1-(4-methoxyphenyl)-3-oxo-3-propan-2-yloxypropyl]sulfamoyl]benzoic acid IUPAC Name: 3-[[1-(4-methoxyphenyl)-3-oxo-3-propan-2-yloxypropyl]sulfamoyl]benzoic acid Traditional Name: 3-[[3-isopropoxy-3-keto-1-(4-methoxyphenyl)propyl]sulfamoyl]benzoic acid Formula: C20H23NO7S MolecularWeight: 421.46412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=C(C=C1)OC)NS(=O)(=O)C2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=C(C=C1)OC)NS(=O)(=O)C2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C20H23NO7S/c1-13(2)28-19(22)12-18(14-7-9-16(27-3)10-8-14)21-29(25,26)17-6-4-5-15(11-17)20(23)24/h4-11,13,18,21H,12H2,1-3H3,(H,23,24)