methyl 2-chloranyl-5-[2-[methylsulfonyl-(3-nitrophenyl)amino]ethanoylamino]benzoate

Systemtic Name: methyl 2-chloranyl-5-[2-[methylsulfonyl-(3-nitrophenyl)amino]ethanoylamino]benzoate Openeye Name: methyl 2-chloro-5-[[2-(N-methylsulfonyl-3-nitro-anilino)acetyl]amino]benzoate CAS Name: 2-chloro-5-[[2-(N-methylsulfonyl-3-nitroanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-[[2-(N-methylsulfonyl-3-nitroanilino)acetyl]amino]benzoate Traditional Name: 2-chloro-5-[[2-(N-mesyl-3-nitro-anilino)acetyl]amino]benzoic acid methyl ester Formula: C17H16ClN3O7S MolecularWeight: 441.84284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)NC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C)Cl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C)Cl

InChI

InChI=1S/C17H16ClN3O7S/c1-28-17(23)14-8-11(6-7-15(14)18)19-16(22)10-20(29(2,26)27)12-4-3-5-13(9-12)21(24)25/h3-9H,10H2,1-2H3,(H,19,22)