6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methoxyethyl)-4-oxidanylidene-1H-quinoline-3-carboxamide

Systemtic Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methoxyethyl)-4-oxidanylidene-1H-quinoline-3-carboxamide Openeye Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methoxyethyl)-4-oxo-1H-quinoline-3-carboxamide CAS Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methoxyethyl)-4-oxo-1H-quinoline-3-carboxamide IUPAC Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methoxyethyl)-4-oxo-1H-quinoline-3-carboxamide Traditional Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-keto-N-(2-methoxyethyl)-1H-quinoline-3-carboxamide Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1=CNC2=C(C1=O)C=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COCCNC(=O)C1=CNC2=C(C1=O)C=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H23N3O5S/c1-30-11-9-23-22(27)19-13-24-20-7-6-17(12-18(20)21(19)26)31(28,29)25-10-8-15-4-2-3-5-16(15)14-25/h2-7,12-13H,8-11,14H2,1H3,(H,23,27)(H,24,26)