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

Systemtic Name: N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]-N-(2-methoxyethyl)isoquinoline-5-sulfonamide Openeye Name: N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-N-(2-methoxyethyl)isoquinoline-5-sulfonamide CAS Name: N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(2-methoxyethyl)-5-isoquinolinesulfonamide IUPAC Name: N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(2-methoxyethyl)isoquinoline-5-sulfonamide Traditional Name: N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]-N-(2-methoxyethyl)isoquinoline-5-sulfonamide Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O4S/c1-30-15-14-25(17-23(27)26-13-5-8-18-6-2-3-9-21(18)26)31(28,29)22-10-4-7-19-16-24-12-11-20(19)22/h2-4,6-7,9-12,16H,5,8,13-15,17H2,1H3