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

Systemtic Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-N-[2-(4-methylphenyl)ethyl]-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-4-oxo-N-[2-(p-tolyl)ethyl]quinoline-3-carboxamide CAS Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-N-[2-(4-methylphenyl)ethyl]-4-oxo-3-quinolinecarboxamide IUPAC Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-N-[2-(4-methylphenyl)ethyl]-4-oxoquinoline-3-carboxamide Traditional Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-4-keto-N-[2-(p-tolyl)ethyl]quinoline-3-carboxamide Formula: C30H31N3O4S MolecularWeight: 529.64984

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)C(=O)NCCC5=CC=C(C=C5)C

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)C(=O)NCCC5=CC=C(C=C5)C

InChI

InChI=1S/C30H31N3O4S/c1-3-32-20-27(30(35)31-16-14-22-10-8-21(2)9-11-22)29(34)26-18-25(12-13-28(26)32)38(36,37)33-17-15-23-6-4-5-7-24(23)19-33/h4-13,18,20H,3,14-17,19H2,1-2H3,(H,31,35)