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

Systemtic Name: N-[3-[butyl(methyl)amino]propyl]-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: N-[3-[butyl(methyl)amino]propyl]-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-4-oxo-quinoline-3-carboxamide CAS Name: N-[3-[butyl(methyl)amino]propyl]-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-4-oxo-3-quinolinecarboxamide IUPAC Name: N-[3-[butyl(methyl)amino]propyl]-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-4-oxoquinoline-3-carboxamide Traditional Name: N-[3-[butyl(methyl)amino]propyl]-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-4-keto-quinoline-3-carboxamide Formula: C29H38N4O4S MolecularWeight: 538.70142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)CCCNC(=O)C1=CN(C2=C(C1=O)C=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)CC

Isomeric SMILES

CCCCN(C)CCCNC(=O)C1=CN(C2=C(C1=O)C=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)CC

InChI

InChI=1S/C29H38N4O4S/c1-4-6-16-31(3)17-9-15-30-29(35)26-21-32(5-2)27-13-12-24(19-25(27)28(26)34)38(36,37)33-18-14-22-10-7-8-11-23(22)20-33/h7-8,10-13,19,21H,4-6,9,14-18,20H2,1-3H3,(H,30,35)