N-(2-cyanoethyl)-8-ethoxy-N-(pyridin-3-ylmethyl)quinoline-5-sulfonamide

Systemtic Name: N-(2-cyanoethyl)-8-ethoxy-N-(pyridin-3-ylmethyl)quinoline-5-sulfonamide Openeye Name: N-(2-cyanoethyl)-8-ethoxy-N-(3-pyridylmethyl)quinoline-5-sulfonamide CAS Name: N-(2-cyanoethyl)-8-ethoxy-N-(3-pyridinylmethyl)-5-quinolinesulfonamide IUPAC Name: N-(2-cyanoethyl)-8-ethoxy-N-(pyridin-3-ylmethyl)quinoline-5-sulfonamide Traditional Name: N-(2-cyanoethyl)-8-ethoxy-N-(3-pyridylmethyl)quinoline-5-sulfonamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=C(C=C1)S(=O)(=O)N(CCC#N)CC3=CN=CC=C3)C=CC=N2

Isomeric SMILES

CCOC1=C2C(=C(C=C1)S(=O)(=O)N(CCC#N)CC3=CN=CC=C3)C=CC=N2

InChI

InChI=1S/C20H20N4O3S/c1-2-27-18-8-9-19(17-7-4-12-23-20(17)18)28(25,26)24(13-5-10-21)15-16-6-3-11-22-14-16/h3-4,6-9,11-12,14H,2,5,13,15H2,1H3