3-[4-[[1-(2-nitrophenyl)-3-oxidanylidene-3-propan-2-yloxy-propyl]sulfamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[[1-(2-nitrophenyl)-3-oxidanylidene-3-propan-2-yloxy-propyl]sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[[3-isopropoxy-1-(2-nitrophenyl)-3-oxo-propyl]sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[[1-(2-nitrophenyl)-3-oxo-3-propan-2-yloxypropyl]sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[[1-(2-nitrophenyl)-3-oxo-3-propan-2-yloxypropyl]sulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[[3-isopropoxy-3-keto-1-(2-nitrophenyl)propyl]sulfamoyl]phenyl]propionic acid Formula: C21H24N2O8S MolecularWeight: 464.48886

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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=C(C=C2)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O8S/c1-14(2)31-21(26)13-18(17-5-3-4-6-19(17)23(27)28)22-32(29,30)16-10-7-15(8-11-16)9-12-20(24)25/h3-8,10-11,14,18,22H,9,12-13H2,1-2H3,(H,24,25)