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

Systemtic Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-4-oxo-quinoline-3-carboxamide CAS Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-4-oxo-3-quinolinecarboxamide IUPAC Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-4-oxoquinoline-3-carboxamide Traditional Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-N-homoveratryl-4-keto-quinoline-3-carboxamide Formula: C31H33N3O6S MolecularWeight: 575.67522

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C31H33N3O6S/c1-4-33-20-26(31(36)32-15-13-21-9-12-28(39-2)29(17-21)40-3)30(35)25-18-24(10-11-27(25)33)41(37,38)34-16-14-22-7-5-6-8-23(22)19-34/h5-12,17-18,20H,4,13-16,19H2,1-3H3,(H,32,36)