N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)isoquinoline-5-sulfonamide

Systemtic Name: N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)isoquinoline-5-sulfonamide Openeye Name: N-(2-cyanoethyl)-N-(3-pyridylmethyl)isoquinoline-5-sulfonamide CAS Name: N-(2-cyanoethyl)-N-(3-pyridinylmethyl)-5-isoquinolinesulfonamide IUPAC Name: N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)isoquinoline-5-sulfonamide Traditional Name: N-(2-cyanoethyl)-N-(3-pyridylmethyl)isoquinoline-5-sulfonamide Formula: C18H16N4O2S MolecularWeight: 352.41024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)N(CCC#N)CC3=CN=CC=C3

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)N(CCC#N)CC3=CN=CC=C3

InChI

InChI=1S/C18H16N4O2S/c19-8-3-11-22(14-15-4-2-9-20-12-15)25(23,24)18-6-1-5-16-13-21-10-7-17(16)18/h1-2,4-7,9-10,12-13H,3,11,14H2