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

Systemtic Name: N-butyl-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-oxidanylidene-1H-quinoline-3-carboxamide Openeye Name: N-butyl-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-oxo-1H-quinoline-3-carboxamide CAS Name: N-butyl-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-oxo-1H-quinoline-3-carboxamide IUPAC Name: N-butyl-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-oxo-1H-quinoline-3-carboxamide Traditional Name: N-butyl-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-keto-1H-quinoline-3-carboxamide Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O4S/c1-2-3-11-24-23(28)20-14-25-21-9-8-18(13-19(21)22(20)27)31(29,30)26-12-10-16-6-4-5-7-17(16)15-26/h4-9,13-14H,2-3,10-12,15H2,1H3,(H,24,28)(H,25,27)