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

Systemtic Name: 2-[(4-chlorophenyl)-methylsulfonyl-amino]-N-(2-methoxy-5-nitro-phenyl)butanamide Openeye Name: 2-(4-chloro-N-methylsulfonyl-anilino)-N-(2-methoxy-5-nitro-phenyl)butanamide CAS Name: 2-(4-chloro-N-methylsulfonylanilino)-N-(2-methoxy-5-nitrophenyl)butanamide IUPAC Name: 2-(4-chloro-N-methylsulfonylanilino)-N-(2-methoxy-5-nitrophenyl)butanamide Traditional Name: 2-(4-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:

CCC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)N(C2=CC=C(C=C2)Cl)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)N(C2=CC=C(C=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C18H20ClN3O6S/c1-4-16(21(29(3,26)27)13-7-5-12(19)6-8-13)18(23)20-15-11-14(22(24)25)9-10-17(15)28-2/h5-11,16H,4H2,1-3H3,(H,20,23)