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

Systemtic Name: N-[3-[bis(2-methylpropyl)amino]propyl]-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(diisobutylamino)propyl]-1-ethyl-4-oxo-quinoline-3-carboxamide CAS Name: N-[3-[bis(2-methylpropyl)amino]propyl]-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-4-oxo-3-quinolinecarboxamide IUPAC Name: N-[3-[bis(2-methylpropyl)amino]propyl]-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-4-oxoquinoline-3-carboxamide Traditional Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(diisobutylamino)propyl]-1-ethyl-4-keto-quinoline-3-carboxamide Formula: C32H44N4O4S MolecularWeight: 580.78116

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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)NCCCN(CC(C)C)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C32H44N4O4S/c1-6-35-22-29(32(38)33-15-9-16-34(19-23(2)3)20-24(4)5)31(37)28-18-27(12-13-30(28)35)41(39,40)36-17-14-25-10-7-8-11-26(25)21-36/h7-8,10-13,18,22-24H,6,9,14-17,19-21H2,1-5H3,(H,33,38)