4-[[2,5-bis(chloranyl)phenyl]-methylsulfonyl-amino]-N-(2-methoxy-5-nitro-phenyl)butanamide

Systemtic Name: 4-[[2,5-bis(chloranyl)phenyl]-methylsulfonyl-amino]-N-(2-methoxy-5-nitro-phenyl)butanamide Openeye Name: 4-(2,5-dichloro-N-methylsulfonyl-anilino)-N-(2-methoxy-5-nitro-phenyl)butanamide CAS Name: 4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methoxy-5-nitrophenyl)butanamide IUPAC Name: 4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methoxy-5-nitrophenyl)butanamide Traditional Name: 4-(2,5-dichloro-N-mesyl-anilino)-N-(2-methoxy-5-nitro-phenyl)butyramide Formula: C18H19Cl2N3O6S MolecularWeight: 476.33096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCCN(C2=C(C=CC(=C2)Cl)Cl)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCCN(C2=C(C=CC(=C2)Cl)Cl)S(=O)(=O)C

InChI

InChI=1S/C18H19Cl2N3O6S/c1-29-17-8-6-13(23(25)26)11-15(17)21-18(24)4-3-9-22(30(2,27)28)16-10-12(19)5-7-14(16)20/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,24)