6-(azepan-1-ylsulfonyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-oxidanylidene-1H-quinoline-4-carboxamide

Systemtic Name: 6-(azepan-1-ylsulfonyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-oxidanylidene-1H-quinoline-4-carboxamide Openeye Name: 6-(azepan-1-ylsulfonyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide Traditional Name: 6-(azepan-1-ylsulfonyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-keto-1H-quinoline-4-carboxamide Formula: C27H32N4O4S MolecularWeight: 508.63238

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(=O)NCCN4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(=O)NCCN4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H32N4O4S/c32-26-18-24(27(33)28-12-16-30-15-11-20-7-3-4-8-21(20)19-30)23-17-22(9-10-25(23)29-26)36(34,35)31-13-5-1-2-6-14-31/h3-4,7-10,17-18H,1-2,5-6,11-16,19H2,(H,28,33)(H,29,32)