N-[3,5-dimethyl-4-[2-(nitromethylsulfonyl)phenyl]piperidin-1-yl]-2-oxidanylidene-ethanamide

Systemtic Name: N-[3,5-dimethyl-4-[2-(nitromethylsulfonyl)phenyl]piperidin-1-yl]-2-oxidanylidene-ethanamide Openeye Name: N-[3,5-dimethyl-4-[2-(nitromethylsulfonyl)phenyl]-1-piperidyl]-2-oxo-acetamide CAS Name: N-[3,5-dimethyl-4-[2-(nitromethylsulfonyl)phenyl]-1-piperidinyl]-2-oxoacetamide IUPAC Name: N-[3,5-dimethyl-4-[2-(nitromethylsulfonyl)phenyl]piperidin-1-yl]-2-oxoacetamide Traditional Name: N-[3,5-dimethyl-4-[2-(nitromethylsulfonyl)phenyl]piperidino]-2-keto-acetamide Formula: C16H21N3O6S MolecularWeight: 383.41944

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(C1C2=CC=CC=C2S(=O)(=O)C[N+](=O)[O-])C)NC(=O)C=O

Isomeric SMILES

CC1CN(CC(C1C2=CC=CC=C2S(=O)(=O)C[N+](=O)[O-])C)NC(=O)C=O

InChI

InChI=1S/C16H21N3O6S/c1-11-7-18(17-15(21)9-20)8-12(2)16(11)13-5-3-4-6-14(13)26(24,25)10-19(22)23/h3-6,9,11-12,16H,7-8,10H2,1-2H3,(H,17,21)