2-acetamido-4-methylsulfonyl-N-(3-nitrophenyl)butanamide

Systemtic Name: 2-acetamido-4-methylsulfonyl-N-(3-nitrophenyl)butanamide Openeye Name: 2-acetamido-4-methylsulfonyl-N-(3-nitrophenyl)butanamide CAS Name: 2-acetamido-4-methylsulfonyl-N-(3-nitrophenyl)butanamide IUPAC Name: 2-acetamido-4-methylsulfonyl-N-(3-nitrophenyl)butanamide Traditional Name: 2-acetamido-4-mesyl-N-(3-nitrophenyl)butyramide Formula: C13H17N3O6S MolecularWeight: 343.35558

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCS(=O)(=O)C)C(=O)NC1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC(CCS(=O)(=O)C)C(=O)NC1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O6S/c1-9(17)14-12(6-7-23(2,21)22)13(18)15-10-4-3-5-11(8-10)16(19)20/h3-5,8,12H,6-7H2,1-2H3,(H,14,17)(H,15,18)