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

Systemtic Name: 2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-(2-methyl-5-nitro-phenyl)butanamide Openeye Name: 2-(3,4-dimethyl-N-methylsulfonyl-anilino)-N-(2-methyl-5-nitro-phenyl)butanamide CAS Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-methyl-5-nitrophenyl)butanamide IUPAC Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-methyl-5-nitrophenyl)butanamide Traditional Name: 2-(N-mesyl-3,4-dimethyl-anilino)-N-(2-methyl-5-nitro-phenyl)butyramide Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O5S/c1-6-19(20(24)21-18-12-17(23(25)26)10-8-14(18)3)22(29(5,27)28)16-9-7-13(2)15(4)11-16/h7-12,19H,6H2,1-5H3,(H,21,24)