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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O5S/c1-14-10-11-15(2)19(13-14)22(29(4,27)28)12-6-9-20(24)21-17-7-5-8-18(16(17)3)23(25)26/h5,7-8,10-11,13H,6,9,12H2,1-4H3,(H,21,24)