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

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-2-(3,4-dimethyl-N-methylsulfonyl-anilino)butanamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)butanamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)butanamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-2-(N-mesyl-3,4-dimethyl-anilino)butyramide Formula: C19H22ClN3O5S MolecularWeight: 439.91308

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C19H22ClN3O5S/c1-5-18(19(24)21-17-11-15(23(25)26)8-9-16(17)20)22(29(4,27)28)14-7-6-12(2)13(3)10-14/h6-11,18H,5H2,1-4H3,(H,21,24)