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

Systemtic Name: N-methyl-N-[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]isoquinoline-5-sulfonamide Openeye Name: N-methyl-N-[2-oxo-2-[3-(p-tolyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]ethyl]isoquinoline-5-sulfonamide CAS Name: N-methyl-N-[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-isoquinolinesulfonamide IUPAC Name: N-methyl-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-methyl-isoquinoline-5-sulfonamide Formula: C26H24N4O3S2 MolecularWeight: 504.62376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24N4O3S2/c1-18-8-10-19(11-9-18)23-15-22(24-6-4-14-34-24)28-30(23)26(31)17-29(2)35(32,33)25-7-3-5-20-16-27-13-12-21(20)25/h3-14,16,23H,15,17H2,1-2H3