N-(2-methyl-3-nitro-phenyl)-2-[(4-methylphenyl)-methylsulfonyl-amino]butanamide

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-2-[(4-methylphenyl)-methylsulfonyl-amino]butanamide Openeye Name: 2-(4-methyl-N-methylsulfonyl-anilino)-N-(2-methyl-3-nitro-phenyl)butanamide CAS Name: 2-(4-methyl-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)butanamide IUPAC Name: 2-(4-methyl-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)butanamide Traditional Name: 2-(N-mesyl-4-methyl-anilino)-N-(2-methyl-3-nitro-phenyl)butyramide Formula: C19H23N3O5S MolecularWeight: 405.46802

Click to see the large picture

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)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)S(=O)(=O)C

InChI

InChI=1S/C19H23N3O5S/c1-5-17(21(28(4,26)27)15-11-9-13(2)10-12-15)19(23)20-16-7-6-8-18(14(16)3)22(24)25/h6-12,17H,5H2,1-4H3,(H,20,23)