N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylsulfonyl]ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylsulfonyl]ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylsulfonyl]acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methylsulfonyl]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfonyl]acetamide Traditional Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylsulfonyl]-N-homoveratryl-acetamide Formula: C18H24N4O7S MolecularWeight: 440.47076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CS(=O)(=O)CC(=O)NCCC2=CC(=C(C=C2)OC)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CS(=O)(=O)CC(=O)NCCC2=CC(=C(C=C2)OC)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C18H24N4O7S/c1-12-18(22(24)25)13(2)21(20-12)11-30(26,27)10-17(23)19-8-7-14-5-6-15(28-3)16(9-14)29-4/h5-6,9H,7-8,10-11H2,1-4H3,(H,19,23)