5-(4-ethylpiperidin-1-yl)sulfonylisoquinoline; 1-(4-fluorophenyl)-4-(methylamino)butan-1-one

Systemtic Name: 5-(4-ethylpiperidin-1-yl)sulfonylisoquinoline; 1-(4-fluorophenyl)-4-(methylamino)butan-1-one Openeye Name: 5-[(4-ethyl-1-piperidyl)sulfonyl]isoquinoline; 1-(4-fluorophenyl)-4-(methylamino)butan-1-one CAS Name: 5-[(4-ethyl-1-piperidinyl)sulfonyl]isoquinoline; 1-(4-fluorophenyl)-4-(methylamino)-1-butanone IUPAC Name: 5-(4-ethylpiperidin-1-yl)sulfonylisoquinoline; 1-(4-fluorophenyl)-4-(methylamino)butan-1-one Traditional Name: 5-(4-ethylpiperidino)sulfonylisoquinoline; 1-(4-fluorophenyl)-4-(methylamino)butan-1-one Formula: C27H34FN3O3S MolecularWeight: 499.640563

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCN(CC1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3.CNCCCC(=O)C1=CC=C(C=C1)F

Isomeric SMILES

CCC1CCN(CC1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3.CNCCCC(=O)C1=CC=C(C=C1)F

InChI

InChI=1S/C16H20N2O2S.C11H14FNO/c1-2-13-7-10-18(11-8-13)21(19,20)16-5-3-4-14-12-17-9-6-15(14)16;1-13-8-2-3-11(14)9-4-6-10(12)7-5-9/h3-6,9,12-13H,2,7-8,10-11H2,1H3;4-7,13H,2-3,8H2,1H3