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

Systemtic Name: N-[2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]-N-methyl-isoquinoline-5-sulfonamide Openeye Name: N-[2-[3-(3,4-dimethoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-[2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-methyl-5-isoquinolinesulfonamide IUPAC Name: N-[2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-methylisoquinoline-5-sulfonamide Traditional Name: N-[2-[5-(3,4-dimethoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C27H26N4O5S2 MolecularWeight: 550.64914

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H26N4O5S2/c1-30(38(33,34)26-8-4-6-19-16-28-12-11-20(19)26)17-27(32)31-22(15-21(29-31)25-7-5-13-37-25)18-9-10-23(35-2)24(14-18)36-3/h4-14,16,22H,15,17H2,1-3H3