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

Systemtic Name: N-[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]-N-propyl-isoquinoline-5-sulfonamide Openeye Name: N-[2-oxo-2-[3-(p-tolyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]ethyl]-N-propyl-isoquinoline-5-sulfonamide CAS Name: N-[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-propyl-5-isoquinolinesulfonamide IUPAC Name: N-[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-propylisoquinoline-5-sulfonamide Traditional Name: N-[2-keto-2-[5-(p-tolyl)-3-(2-thienyl)-2-pyrazolin-1-yl]ethyl]-N-propyl-isoquinoline-5-sulfonamide Formula: C28H28N4O3S2 MolecularWeight: 532.67692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28N4O3S2/c1-3-15-31(37(34,35)27-8-4-6-22-18-29-14-13-23(22)27)19-28(33)32-25(21-11-9-20(2)10-12-21)17-24(30-32)26-7-5-16-36-26/h4-14,16,18,25H,3,15,17,19H2,1-2H3