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

Systemtic Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-N-[3-(3-methylpiperidin-1-yl)propyl]-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-N-[3-(3-methyl-1-piperidyl)propyl]-4-oxo-quinoline-3-carboxamide CAS Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-N-[3-(3-methyl-1-piperidinyl)propyl]-4-oxo-3-quinolinecarboxamide IUPAC Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-N-[3-(3-methylpiperidin-1-yl)propyl]-4-oxoquinoline-3-carboxamide Traditional Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-4-keto-N-[3-(3-methylpiperidino)propyl]quinoline-3-carboxamide Formula: C30H38N4O4S MolecularWeight: 550.71212

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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)NCCCN5CCCC(C5)C

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)C(=O)NCCCN5CCCC(C5)C

InChI

InChI=1S/C30H38N4O4S/c1-3-33-21-27(30(36)31-14-7-16-32-15-6-8-22(2)19-32)29(35)26-18-25(11-12-28(26)33)39(37,38)34-17-13-23-9-4-5-10-24(23)20-34/h4-5,9-12,18,21-22H,3,6-8,13-17,19-20H2,1-2H3,(H,31,36)