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

Systemtic Name: N-[1-[(4-fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-2-nitro-benzenesulfonamide Openeye Name: N-[1-[(4-fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-2-nitro-benzenesulfonamide CAS Name: N-[1-[(4-fluorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-nitrobenzenesulfonamide Traditional Name: N-[1-(4-fluorobenzyl)-3,5-dimethyl-pyrazol-4-yl]-2-nitro-benzenesulfonamide Formula: C18H17FN4O4S MolecularWeight: 404.415383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)F)C)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)F)C)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H17FN4O4S/c1-12-18(13(2)22(20-12)11-14-7-9-15(19)10-8-14)21-28(26,27)17-6-4-3-5-16(17)23(24)25/h3-10,21H,11H2,1-2H3