2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-phenethyl-ethanesulfonamide

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-phenethyl-ethanesulfonamide Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-phenethyl-ethanesulfonamide CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-phenethylethanesulfonamide IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-phenethylethanesulfonamide Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-phenethyl-ethanesulfonamide Formula: C15H20N4O4S MolecularWeight: 352.4087

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCS(=O)(=O)NCCC2=CC=CC=C2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCS(=O)(=O)NCCC2=CC=CC=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C15H20N4O4S/c1-12-15(19(20)21)13(2)18(17-12)10-11-24(22,23)16-9-8-14-6-4-3-5-7-14/h3-7,16H,8-11H2,1-2H3