6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-3-(4-ethylpiperazin-1-yl)carbonyl-quinolin-4-one

Systemtic Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-3-(4-ethylpiperazin-1-yl)carbonyl-quinolin-4-one Openeye Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-3-(4-ethylpiperazine-1-carbonyl)quinolin-4-one CAS Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-3-[(4-ethyl-1-piperazinyl)-oxomethyl]-4-quinolinone IUPAC Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-3-(4-ethylpiperazine-1-carbonyl)quinolin-4-one Traditional Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-ethyl-3-(4-ethylpiperazine-1-carbonyl)-4-quinolone Formula: C27H32N4O4S MolecularWeight: 508.63238

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2=CN(C3=C(C2=O)C=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4)CC

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2=CN(C3=C(C2=O)C=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4)CC

InChI

InChI=1S/C27H32N4O4S/c1-3-28-13-15-30(16-14-28)27(33)24-19-29(4-2)25-10-9-22(17-23(25)26(24)32)36(34,35)31-12-11-20-7-5-6-8-21(20)18-31/h5-10,17,19H,3-4,11-16,18H2,1-2H3