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

Systemtic Name: N-[2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]-N-methyl-isoquinoline-5-sulfonamide Openeye Name: N-[2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-[2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-methyl-5-isoquinolinesulfonamide IUPAC Name: N-[2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-methylisoquinoline-5-sulfonamide Traditional Name: N-[2-[3,5-bis(4-methoxyphenyl)-2-pyrazolin-1-yl]-2-keto-ethyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C29H28N4O5S MolecularWeight: 544.62142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H28N4O5S/c1-32(39(35,36)28-6-4-5-22-18-30-16-15-25(22)28)19-29(34)33-27(21-9-13-24(38-3)14-10-21)17-26(31-33)20-7-11-23(37-2)12-8-20/h4-16,18,27H,17,19H2,1-3H3