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

Systemtic Name: N-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]-N-propyl-isoquinoline-5-sulfonamide Openeye Name: N-[2-[3-(4-fluorophenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]-N-propyl-isoquinoline-5-sulfonamide CAS Name: N-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-propyl-5-isoquinolinesulfonamide IUPAC Name: N-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-propylisoquinoline-5-sulfonamide Traditional Name: N-[2-[5-(4-fluorophenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl]-N-propyl-isoquinoline-5-sulfonamide Formula: C27H25FN4O3S2 MolecularWeight: 536.640803

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(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

CCCN(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/C27H25FN4O3S2/c1-2-14-31(37(34,35)26-7-3-5-20-17-29-13-12-22(20)26)18-27(33)32-24(19-8-10-21(28)11-9-19)16-23(30-32)25-6-4-15-36-25/h3-13,15,17,24H,2,14,16,18H2,1H3