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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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