3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1-ethyl-6-piperidin-1-ylsulfonyl-quinolin-4-one

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1-ethyl-6-piperidin-1-ylsulfonyl-quinolin-4-one Openeye Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-ethyl-6-(1-piperidylsulfonyl)quinolin-4-one CAS Name: 3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1-ethyl-6-(1-piperidinylsulfonyl)-4-quinolinone IUPAC Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-ethyl-6-piperidin-1-ylsulfonylquinolin-4-one Traditional Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-ethyl-6-piperidinosulfonyl-4-quinolone Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCC3)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCC3)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C26H29N3O4S/c1-2-27-18-23(26(31)28-15-12-19-8-4-5-9-20(19)17-28)25(30)22-16-21(10-11-24(22)27)34(32,33)29-13-6-3-7-14-29/h4-5,8-11,16,18H,2-3,6-7,12-15,17H2,1H3