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

Systemtic Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-4-oxidanylidene-N-(3-pyrrolidin-1-ylpropyl)quinoline-3-carboxamide Openeye Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-4-oxo-N-(3-pyrrolidin-1-ylpropyl)quinoline-3-carboxamide CAS Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-4-oxo-N-[3-(1-pyrrolidinyl)propyl]-3-quinolinecarboxamide IUPAC Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-4-oxo-N-(3-pyrrolidin-1-ylpropyl)quinoline-3-carboxamide Traditional Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-4-keto-N-(3-pyrrolidinopropyl)quinoline-3-carboxamide Formula: C28H34N4O4S MolecularWeight: 522.65896

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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)NCCCN5CCCC5

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)C(=O)NCCCN5CCCC5

InChI

InChI=1S/C28H34N4O4S/c1-2-31-20-25(28(34)29-13-7-16-30-14-5-6-15-30)27(33)24-18-23(10-11-26(24)31)37(35,36)32-17-12-21-8-3-4-9-22(21)19-32/h3-4,8-11,18,20H,2,5-7,12-17,19H2,1H3,(H,29,34)