methyl 4-[[(2-chloranyl-5-nitro-phenyl)sulfonyl-(4-chlorophenyl)amino]methyl]benzoate

Systemtic Name: methyl 4-[[(2-chloranyl-5-nitro-phenyl)sulfonyl-(4-chlorophenyl)amino]methyl]benzoate Openeye Name: methyl 4-[(4-chloro-N-(2-chloro-5-nitro-phenyl)sulfonyl-anilino)methyl]benzoate CAS Name: 4-[(4-chloro-N-(2-chloro-5-nitrophenyl)sulfonylanilino)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-chloro-N-(2-chloro-5-nitrophenyl)sulfonylanilino)methyl]benzoate Traditional Name: 4-[(4-chloro-N-(2-chloro-5-nitro-phenyl)sulfonyl-anilino)methyl]benzoic acid methyl ester Formula: C21H16Cl2N2O6S MolecularWeight: 495.33254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN(C2=CC=C(C=C2)Cl)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN(C2=CC=C(C=C2)Cl)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H16Cl2N2O6S/c1-31-21(26)15-4-2-14(3-5-15)13-24(17-8-6-16(22)7-9-17)32(29,30)20-12-18(25(27)28)10-11-19(20)23/h2-12H,13H2,1H3