4-[[2,5-bis(chloranyl)phenyl]-methylsulfonyl-amino]-N-(2-methyl-3-nitro-phenyl)butanamide

Systemtic Name: 4-[[2,5-bis(chloranyl)phenyl]-methylsulfonyl-amino]-N-(2-methyl-3-nitro-phenyl)butanamide Openeye Name: 4-(2,5-dichloro-N-methylsulfonyl-anilino)-N-(2-methyl-3-nitro-phenyl)butanamide CAS Name: 4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)butanamide IUPAC Name: 4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)butanamide Traditional Name: 4-(2,5-dichloro-N-mesyl-anilino)-N-(2-methyl-3-nitro-phenyl)butyramide Formula: C18H19Cl2N3O5S MolecularWeight: 460.33156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CCCN(C2=C(C=CC(=C2)Cl)Cl)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CCCN(C2=C(C=CC(=C2)Cl)Cl)S(=O)(=O)C

InChI

InChI=1S/C18H19Cl2N3O5S/c1-12-15(5-3-6-16(12)23(25)26)21-18(24)7-4-10-22(29(2,27)28)17-11-13(19)8-9-14(17)20/h3,5-6,8-9,11H,4,7,10H2,1-2H3,(H,21,24)