2-azanyl-N-(2-methyl-3-nitro-phenyl)-4-methylsulfonyl-butanamide

Systemtic Name: 2-azanyl-N-(2-methyl-3-nitro-phenyl)-4-methylsulfonyl-butanamide Openeye Name: 2-amino-N-(2-methyl-3-nitro-phenyl)-4-methylsulfonyl-butanamide CAS Name: 2-amino-N-(2-methyl-3-nitrophenyl)-4-methylsulfonylbutanamide IUPAC Name: 2-amino-N-(2-methyl-3-nitrophenyl)-4-methylsulfonylbutanamide Traditional Name: 2-amino-4-mesyl-N-(2-methyl-3-nitro-phenyl)butyramide Formula: C12H17N3O5S MolecularWeight: 315.34548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C(CCS(=O)(=O)C)N

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C(CCS(=O)(=O)C)N

InChI

InChI=1S/C12H17N3O5S/c1-8-10(4-3-5-11(8)15(17)18)14-12(16)9(13)6-7-21(2,19)20/h3-5,9H,6-7,13H2,1-2H3,(H,14,16)