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

Systemtic Name: N-[(4-chlorophenyl)methyl]-2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylsulfonyl]ethanamide Openeye Name: N-[(4-chlorophenyl)methyl]-2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylsulfonyl]acetamide CAS Name: N-[(4-chlorophenyl)methyl]-2-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methylsulfonyl]acetamide IUPAC Name: N-[(4-chlorophenyl)methyl]-2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfonyl]acetamide Traditional Name: N-(4-chlorobenzyl)-2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylsulfonyl]acetamide Formula: C15H17ClN4O5S MolecularWeight: 400.83728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CS(=O)(=O)CC(=O)NCC2=CC=C(C=C2)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CS(=O)(=O)CC(=O)NCC2=CC=C(C=C2)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C15H17ClN4O5S/c1-10-15(20(22)23)11(2)19(18-10)9-26(24,25)8-14(21)17-7-12-3-5-13(16)6-4-12/h3-6H,7-9H2,1-2H3,(H,17,21)