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

Systemtic Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-N-[3-(2-ethylpiperidin-1-yl)propyl]-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-N-[3-(2-ethyl-1-piperidyl)propyl]-4-oxo-quinoline-3-carboxamide CAS Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-N-[3-(2-ethyl-1-piperidinyl)propyl]-4-oxo-3-quinolinecarboxamide IUPAC Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-N-[3-(2-ethylpiperidin-1-yl)propyl]-4-oxoquinoline-3-carboxamide Traditional Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-N-[3-(2-ethylpiperidino)propyl]-4-keto-quinoline-3-carboxamide Formula: C31H40N4O4S MolecularWeight: 564.7387

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1CCCNC(=O)C2=CN(C3=C(C2=O)C=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4)CC

Isomeric SMILES

CCC1CCCCN1CCCNC(=O)C2=CN(C3=C(C2=O)C=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4)CC

InChI

InChI=1S/C31H40N4O4S/c1-3-25-12-7-8-17-34(25)18-9-16-32-31(37)28-22-33(4-2)29-14-13-26(20-27(29)30(28)36)40(38,39)35-19-15-23-10-5-6-11-24(23)21-35/h5-6,10-11,13-14,20,22,25H,3-4,7-9,12,15-19,21H2,1-2H3,(H,32,37)