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

Systemtic Name: 5-[[1-(2-nitrophenyl)-3-oxidanylidene-3-propan-2-yloxy-propyl]sulfamoyl]thiophene-3-carboxylic acid Openeye Name: 5-[[3-isopropoxy-1-(2-nitrophenyl)-3-oxo-propyl]sulfamoyl]thiophene-3-carboxylic acid CAS Name: 5-[[1-(2-nitrophenyl)-3-oxo-3-propan-2-yloxypropyl]sulfamoyl]-3-thiophenecarboxylic acid IUPAC Name: 5-[[1-(2-nitrophenyl)-3-oxo-3-propan-2-yloxypropyl]sulfamoyl]thiophene-3-carboxylic acid Traditional Name: 5-[[3-isopropoxy-3-keto-1-(2-nitrophenyl)propyl]sulfamoyl]-3-thenoic acid Formula: C17H18N2O8S2 MolecularWeight: 442.46342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NS(=O)(=O)C2=CC(=CS2)C(=O)O

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NS(=O)(=O)C2=CC(=CS2)C(=O)O

InChI

InChI=1S/C17H18N2O8S2/c1-10(2)27-15(20)8-13(12-5-3-4-6-14(12)19(23)24)18-29(25,26)16-7-11(9-28-16)17(21)22/h3-7,9-10,13,18H,8H2,1-2H3,(H,21,22)