N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]-N-methyl-isoquinoline-5-sulfonamide

Systemtic Name: N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]-N-methyl-isoquinoline-5-sulfonamide Openeye Name: N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-methyl-5-isoquinolinesulfonamide IUPAC Name: N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-methylisoquinoline-5-sulfonamide Traditional Name: N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CCCC2=CC=CC=C21)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CN(CC(=O)N1CCCC2=CC=CC=C21)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C21H21N3O3S/c1-23(15-21(25)24-13-5-8-16-6-2-3-9-19(16)24)28(26,27)20-10-4-7-17-14-22-12-11-18(17)20/h2-4,6-7,9-12,14H,5,8,13,15H2,1H3