N-(2-cyanoethyl)-N-methyl-isoquinoline-5-sulfonamide

Systemtic Name: N-(2-cyanoethyl)-N-methyl-isoquinoline-5-sulfonamide Openeye Name: N-(2-cyanoethyl)-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-(2-cyanoethyl)-N-methyl-5-isoquinolinesulfonamide IUPAC Name: N-(2-cyanoethyl)-N-methylisoquinoline-5-sulfonamide Traditional Name: N-(2-cyanoethyl)-N-methyl-isoquinoline-5-sulfonamide Formula: C13H13N3O2S MolecularWeight: 275.32622

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)S(=O)(=O)C1=CC=CC2=C1C=CN=C2

Isomeric SMILES

CN(CCC#N)S(=O)(=O)C1=CC=CC2=C1C=CN=C2

InChI

InChI=1S/C13H13N3O2S/c1-16(9-3-7-14)19(17,18)13-5-2-4-11-10-15-8-6-12(11)13/h2,4-6,8,10H,3,9H2,1H3