2-acetamido-N-(2,3-dimethyl-6-nitro-phenyl)-4-methylsulfonyl-butanamide

Systemtic Name: 2-acetamido-N-(2,3-dimethyl-6-nitro-phenyl)-4-methylsulfonyl-butanamide Openeye Name: 2-acetamido-N-(2,3-dimethyl-6-nitro-phenyl)-4-methylsulfonyl-butanamide CAS Name: 2-acetamido-N-(2,3-dimethyl-6-nitrophenyl)-4-methylsulfonylbutanamide IUPAC Name: 2-acetamido-N-(2,3-dimethyl-6-nitrophenyl)-4-methylsulfonylbutanamide Traditional Name: 2-acetamido-N-(2,3-dimethyl-6-nitro-phenyl)-4-mesyl-butyramide Formula: C15H21N3O6S MolecularWeight: 371.40874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O6S/c1-9-5-6-13(18(21)22)14(10(9)2)17-15(20)12(16-11(3)19)7-8-25(4,23)24/h5-6,12H,7-8H2,1-4H3,(H,16,19)(H,17,20)