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

Systemtic Name: N-[2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]-N-propyl-isoquinoline-5-sulfonamide Openeye Name: N-[2-[3-(3,4-dimethoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]-N-propyl-isoquinoline-5-sulfonamide CAS Name: N-[2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-propyl-5-isoquinolinesulfonamide IUPAC Name: N-[2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-propylisoquinoline-5-sulfonamide Traditional Name: N-[2-[5-(3,4-dimethoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl]-N-propyl-isoquinoline-5-sulfonamide Formula: C29H30N4O5S2 MolecularWeight: 578.7023

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(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

CCCN(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/C29H30N4O5S2/c1-4-14-32(40(35,36)28-9-5-7-21-18-30-13-12-22(21)28)19-29(34)33-24(17-23(31-33)27-8-6-15-39-27)20-10-11-25(37-2)26(16-20)38-3/h5-13,15-16,18,24H,4,14,17,19H2,1-3H3