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

Systemtic Name: N-(2-methoxyethyl)-N-[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]isoquinoline-5-sulfonamide Openeye Name: N-(2-methoxyethyl)-N-[2-oxo-2-[3-(p-tolyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]ethyl]isoquinoline-5-sulfonamide CAS Name: N-(2-methoxyethyl)-N-[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-isoquinolinesulfonamide IUPAC Name: N-(2-methoxyethyl)-N-[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]isoquinoline-5-sulfonamide Traditional Name: N-[2-keto-2-[5-(p-tolyl)-3-(2-thienyl)-2-pyrazolin-1-yl]ethyl]-N-(2-methoxyethyl)isoquinoline-5-sulfonamide Formula: C28H28N4O4S2 MolecularWeight: 548.67632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=NN2C(=O)CN(CCOC)S(=O)(=O)C3=CC=CC4=C3C=CN=C4)C5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=NN2C(=O)CN(CCOC)S(=O)(=O)C3=CC=CC4=C3C=CN=C4)C5=CC=CS5

InChI

InChI=1S/C28H28N4O4S2/c1-20-8-10-21(11-9-20)25-17-24(26-6-4-16-37-26)30-32(25)28(33)19-31(14-15-36-2)38(34,35)27-7-3-5-22-18-29-13-12-23(22)27/h3-13,16,18,25H,14-15,17,19H2,1-2H3