N-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]-N-methyl-isoquinoline-5-sulfonamide

Systemtic Name: N-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]-N-methyl-isoquinoline-5-sulfonamide Openeye Name: N-[2-[3-(4-fluorophenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-methyl-5-isoquinolinesulfonamide IUPAC Name: N-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-methylisoquinoline-5-sulfonamide Traditional Name: N-[2-[5-(4-fluorophenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C25H21FN4O3S2 MolecularWeight: 508.587643

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1C(CC(=N1)C2=CC=CS2)C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

CN(CC(=O)N1C(CC(=N1)C2=CC=CS2)C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C25H21FN4O3S2/c1-29(35(32,33)24-6-2-4-18-15-27-12-11-20(18)24)16-25(31)30-22(17-7-9-19(26)10-8-17)14-21(28-30)23-5-3-13-34-23/h2-13,15,22H,14,16H2,1H3