5-[[1-(4-methylphenyl)-3-oxidanylidene-3-propan-2-yloxy-propyl]sulfamoyl]thiophene-3-carboxylic acid

Systemtic Name: 5-[[1-(4-methylphenyl)-3-oxidanylidene-3-propan-2-yloxy-propyl]sulfamoyl]thiophene-3-carboxylic acid Openeye Name: 5-[[3-isopropoxy-3-oxo-1-(p-tolyl)propyl]sulfamoyl]thiophene-3-carboxylic acid CAS Name: 5-[[1-(4-methylphenyl)-3-oxo-3-propan-2-yloxypropyl]sulfamoyl]-3-thiophenecarboxylic acid IUPAC Name: 5-[[1-(4-methylphenyl)-3-oxo-3-propan-2-yloxypropyl]sulfamoyl]thiophene-3-carboxylic acid Traditional Name: 5-[[3-isopropoxy-3-keto-1-(p-tolyl)propyl]sulfamoyl]-3-thenoic acid Formula: C18H21NO6S2 MolecularWeight: 411.49244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)OC(C)C)NS(=O)(=O)C2=CC(=CS2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)OC(C)C)NS(=O)(=O)C2=CC(=CS2)C(=O)O

InChI

InChI=1S/C18H21NO6S2/c1-11(2)25-16(20)9-15(13-6-4-12(3)5-7-13)19-27(23,24)17-8-14(10-26-17)18(21)22/h4-8,10-11,15,19H,9H2,1-3H3,(H,21,22)