2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-pentyl-ethanesulfonamide

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-pentyl-ethanesulfonamide Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-pentyl-ethanesulfonamide CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[(4-fluorophenyl)methyl]-N-pentylethanesulfonamide IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-pentylethanesulfonamide Traditional Name: N-amyl-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(4-fluorobenzyl)ethanesulfonamide Formula: C19H27FN4O4S MolecularWeight: 426.505483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=CC=C(C=C1)F)S(=O)(=O)CCN2C(=C(C(=N2)C)[N+](=O)[O-])C

Isomeric SMILES

CCCCCN(CC1=CC=C(C=C1)F)S(=O)(=O)CCN2C(=C(C(=N2)C)[N+](=O)[O-])C

InChI

InChI=1S/C19H27FN4O4S/c1-4-5-6-11-22(14-17-7-9-18(20)10-8-17)29(27,28)13-12-23-16(3)19(24(25)26)15(2)21-23/h7-10H,4-6,11-14H2,1-3H3