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

Systemtic Name: 2-acetamido-4-methylsulfonyl-N-(4-nitrophenyl)butanamide Openeye Name: 2-acetamido-4-methylsulfonyl-N-(4-nitrophenyl)butanamide CAS Name: 2-acetamido-4-methylsulfonyl-N-(4-nitrophenyl)butanamide IUPAC Name: 2-acetamido-4-methylsulfonyl-N-(4-nitrophenyl)butanamide Traditional Name: 2-acetamido-4-mesyl-N-(4-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=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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