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

Systemtic Name: 4-[(3-chlorophenyl)-methylsulfonyl-amino]-N-(2-methyl-5-nitro-phenyl)butanamide Openeye Name: 4-(3-chloro-N-methylsulfonyl-anilino)-N-(2-methyl-5-nitro-phenyl)butanamide CAS Name: 4-(3-chloro-N-methylsulfonylanilino)-N-(2-methyl-5-nitrophenyl)butanamide IUPAC Name: 4-(3-chloro-N-methylsulfonylanilino)-N-(2-methyl-5-nitrophenyl)butanamide Traditional Name: 4-(3-chloro-N-mesyl-anilino)-N-(2-methyl-5-nitro-phenyl)butyramide Formula: C18H20ClN3O5S MolecularWeight: 425.8865

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O5S/c1-13-8-9-16(22(24)25)12-17(13)20-18(23)7-4-10-21(28(2,26)27)15-6-3-5-14(19)11-15/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,20,23)