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

Systemtic Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylsulfonyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylsulfonyl]acetamide CAS Name: 2-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methylsulfonyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfonyl]acetamide Traditional Name: N-benzyl-2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylsulfonyl]acetamide Formula: C15H18N4O5S MolecularWeight: 366.39222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O5S/c1-11-15(19(21)22)12(2)18(17-11)10-25(23,24)9-14(20)16-8-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H,16,20)