methyl N-[4-[2-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazol-3-yl]phenyl]sulfonylcarbamate

Systemtic Name: methyl N-[4-[2-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazol-3-yl]phenyl]sulfonylcarbamate Openeye Name: methyl N-[4-[2-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazol-3-yl]phenyl]sulfonylcarbamate CAS Name: N-[4-[2-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazol-3-yl]phenyl]sulfonylcarbamic acid methyl ester IUPAC Name: methyl N-[4-[2-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazol-3-yl]phenyl]sulfonylcarbamate Traditional Name: N-[4-[2-phenyl-5-(trifluoromethyl)-2-pyrazolin-3-yl]phenyl]sulfonylcarbamic acid methyl ester Formula: C18H16F3N3O4S MolecularWeight: 427.39755

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NS(=O)(=O)C1=CC=C(C=C1)C2CC(=NN2C3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

COC(=O)NS(=O)(=O)C1=CC=C(C=C1)C2CC(=NN2C3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C18H16F3N3O4S/c1-28-17(25)23-29(26,27)14-9-7-12(8-10-14)15-11-16(18(19,20)21)22-24(15)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3,(H,23,25)