1-(4-ethylpiperazin-1-yl)-3-(6-methylsulfonylpyridin-3-yl)isoquinoline hydrochloride

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-(6-methylsulfonylpyridin-3-yl)isoquinoline hydrochloride Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-(6-methylsulfonyl-3-pyridyl)isoquinoline hydrochloride CAS Name: 1-(4-ethyl-1-piperazinyl)-3-(6-methylsulfonyl-3-pyridinyl)isoquinoline hydrochloride IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-(6-methylsulfonylpyridin-3-yl)isoquinoline hydrochloride Traditional Name: 1-(4-ethylpiperazino)-3-(6-mesyl-3-pyridyl)isoquinoline hydrochloride Formula: C21H25ClN4O2S MolecularWeight: 432.9668

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CN=C(C=C4)S(=O)(=O)C.Cl

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CN=C(C=C4)S(=O)(=O)C.Cl

InChI

InChI=1S/C21H24N4O2S.ClH/c1-3-24-10-12-25(13-11-24)21-18-7-5-4-6-16(18)14-19(23-21)17-8-9-20(22-15-17)28(2,26)27;/h4-9,14-15H,3,10-13H2,1-2H3;1H