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

Systemtic Name: 4-(3,4-dimethylphenyl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-4-oxidanylidene-butanamide Openeye Name: 4-(3,4-dimethylphenyl)-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-4-oxo-butanamide CAS Name: 4-(3,4-dimethylphenyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-4-oxobutanamide IUPAC Name: 4-(3,4-dimethylphenyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-4-oxobutanamide Traditional Name: 4-(3,4-dimethylphenyl)-4-keto-N-[2-(4-mesyl-2-nitro-anilino)ethyl]butyramide Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CCC(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CCC(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C21H25N3O6S/c1-14-4-5-16(12-15(14)2)20(25)8-9-21(26)23-11-10-22-18-7-6-17(31(3,29)30)13-19(18)24(27)28/h4-7,12-13,22H,8-11H2,1-3H3,(H,23,26)