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

Systemtic Name: N-[2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]-N-methyl-isoquinoline-5-sulfonamide Openeye Name: N-[2-[3-(4-methoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-[2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-methyl-5-isoquinolinesulfonamide IUPAC Name: N-[2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-methylisoquinoline-5-sulfonamide Traditional Name: N-[2-keto-2-[5-(4-methoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]ethyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C26H24N4O4S2 MolecularWeight: 520.62316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H24N4O4S2/c1-29(36(32,33)25-7-3-5-19-16-27-13-12-21(19)25)17-26(31)30-23(18-8-10-20(34-2)11-9-18)15-22(28-30)24-6-4-14-35-24/h3-14,16,23H,15,17H2,1-2H3