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

Systemtic Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-hexyl-4-oxidanylidene-1H-quinoline-3-carboxamide Openeye Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-hexyl-4-oxo-1H-quinoline-3-carboxamide CAS Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-hexyl-4-oxo-1H-quinoline-3-carboxamide IUPAC Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-hexyl-4-oxo-1H-quinoline-3-carboxamide Traditional Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-hexyl-4-keto-1H-quinoline-3-carboxamide Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O4S/c1-2-3-4-7-13-26-25(30)22-16-27-23-11-10-20(15-21(23)24(22)29)33(31,32)28-14-12-18-8-5-6-9-19(18)17-28/h5-6,8-11,15-16H,2-4,7,12-14,17H2,1H3,(H,26,30)(H,27,29)