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

Systemtic Name: N-(2-methoxyethyl)-N-[2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]isoquinoline-5-sulfonamide Openeye Name: N-(2-methoxyethyl)-N-[2-[3-(4-methoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]isoquinoline-5-sulfonamide CAS Name: N-(2-methoxyethyl)-N-[2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-isoquinolinesulfonamide IUPAC Name: N-(2-methoxyethyl)-N-[2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]isoquinoline-5-sulfonamide Traditional Name: N-[2-keto-2-[5-(4-methoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]ethyl]-N-(2-methoxyethyl)isoquinoline-5-sulfonamide Formula: C28H28N4O5S2 MolecularWeight: 564.67572

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(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

COCCN(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/C28H28N4O5S2/c1-36-15-14-31(39(34,35)27-7-3-5-21-18-29-13-12-23(21)27)19-28(33)32-25(20-8-10-22(37-2)11-9-20)17-24(30-32)26-6-4-16-38-26/h3-13,16,18,25H,14-15,17,19H2,1-2H3