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

Systemtic Name: 4-[(3-chlorophenyl)-methylsulfonyl-amino]-N-(2-methoxy-5-nitro-phenyl)butanamide Openeye Name: 4-(3-chloro-N-methylsulfonyl-anilino)-N-(2-methoxy-5-nitro-phenyl)butanamide CAS Name: 4-(3-chloro-N-methylsulfonylanilino)-N-(2-methoxy-5-nitrophenyl)butanamide IUPAC Name: 4-(3-chloro-N-methylsulfonylanilino)-N-(2-methoxy-5-nitrophenyl)butanamide Traditional Name: 4-(3-chloro-N-mesyl-anilino)-N-(2-methoxy-5-nitro-phenyl)butyramide Formula: C18H20ClN3O6S MolecularWeight: 441.8859

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O6S/c1-28-17-9-8-15(22(24)25)12-16(17)20-18(23)7-4-10-21(29(2,26)27)14-6-3-5-13(19)11-14/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,20,23)