1-(4-ethylpiperazin-1-yl)-3-[4-(3-fluoranylpropylsulfonyl)phenyl]isoquinoline

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-[4-(3-fluoranylpropylsulfonyl)phenyl]isoquinoline Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-[4-(3-fluoropropylsulfonyl)phenyl]isoquinoline CAS Name: 1-(4-ethyl-1-piperazinyl)-3-[4-(3-fluoropropylsulfonyl)phenyl]isoquinoline IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-[4-(3-fluoropropylsulfonyl)phenyl]isoquinoline Traditional Name: 1-(4-ethylpiperazino)-3-[4-(3-fluoropropylsulfonyl)phenyl]isoquinoline Formula: C24H28FN3O2S MolecularWeight: 441.561423

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)S(=O)(=O)CCCF

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)S(=O)(=O)CCCF

InChI

InChI=1S/C24H28FN3O2S/c1-2-27-13-15-28(16-14-27)24-22-7-4-3-6-20(22)18-23(26-24)19-8-10-21(11-9-19)31(29,30)17-5-12-25/h3-4,6-11,18H,2,5,12-17H2,1H3