[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-[4-(methylsulfamoyl)phenyl]propanoate

Systemtic Name: [1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-[4-(methylsulfamoyl)phenyl]propanoate Openeye Name: [1-methyl-2-(4-nitroanilino)-2-oxo-ethyl] 3-[4-(methylsulfamoyl)phenyl]propanoate CAS Name: 3-[4-(methylsulfamoyl)phenyl]propanoic acid [1-(4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-nitroanilino)-1-oxopropan-2-yl] 3-[4-(methylsulfamoyl)phenyl]propanoate Traditional Name: 3-[4-(methylsulfamoyl)phenyl]propionic acid [2-keto-1-methyl-2-(4-nitroanilino)ethyl] ester Formula: C19H21N3O7S MolecularWeight: 435.45094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)CCC2=CC=C(C=C2)S(=O)(=O)NC

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)CCC2=CC=C(C=C2)S(=O)(=O)NC

InChI

InChI=1S/C19H21N3O7S/c1-13(19(24)21-15-6-8-16(9-7-15)22(25)26)29-18(23)12-5-14-3-10-17(11-4-14)30(27,28)20-2/h3-4,6-11,13,20H,5,12H2,1-2H3,(H,21,24)