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

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-4-[(4-methylphenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-4-(4-methyl-N-methylsulfonyl-anilino)butanamide CAS Name: N-(2-methoxy-5-nitrophenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide Traditional Name: 4-(N-mesyl-4-methyl-anilino)-N-(2-methoxy-5-nitro-phenyl)butyramide Formula: C19H23N3O6S MolecularWeight: 421.46742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N(CCCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC)S(=O)(=O)C

InChI

InChI=1S/C19H23N3O6S/c1-14-6-8-15(9-7-14)21(29(3,26)27)12-4-5-19(23)20-17-13-16(22(24)25)10-11-18(17)28-2/h6-11,13H,4-5,12H2,1-3H3,(H,20,23)