3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1-ethyl-6-(4-methylpiperidin-1-yl)sulfonyl-quinolin-4-one

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1-ethyl-6-(4-methylpiperidin-1-yl)sulfonyl-quinolin-4-one Openeye Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-ethyl-6-[(4-methyl-1-piperidyl)sulfonyl]quinolin-4-one CAS Name: 3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1-ethyl-6-[(4-methyl-1-piperidinyl)sulfonyl]-4-quinolinone IUPAC Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-ethyl-6-(4-methylpiperidin-1-yl)sulfonylquinolin-4-one Traditional Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-ethyl-6-(4-methylpiperidino)sulfonyl-4-quinolone Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCC(CC3)C)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCC(CC3)C)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H31N3O4S/c1-3-28-18-24(27(32)29-13-12-20-6-4-5-7-21(20)17-29)26(31)23-16-22(8-9-25(23)28)35(33,34)30-14-10-19(2)11-15-30/h4-9,16,18-19H,3,10-15,17H2,1-2H3