1-(4-ethylpiperazin-1-yl)-3-[(E)-2-(2-methylsulfonylphenyl)ethenyl]isoquinoline hydrochloride

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-[(E)-2-(2-methylsulfonylphenyl)ethenyl]isoquinoline hydrochloride Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-[(E)-2-(2-methylsulfonylphenyl)vinyl]isoquinoline hydrochloride CAS Name: 1-(4-ethyl-1-piperazinyl)-3-[(E)-2-(2-methylsulfonylphenyl)ethenyl]isoquinoline hydrochloride IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-[(E)-2-(2-methylsulfonylphenyl)ethenyl]isoquinoline hydrochloride Traditional Name: 1-(4-ethylpiperazino)-3-[(E)-2-(2-mesylphenyl)vinyl]isoquinoline hydrochloride Formula: C24H28ClN3O2S MolecularWeight: 458.01602

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C=CC4=CC=CC=C4S(=O)(=O)C.Cl

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)/C=C/C4=CC=CC=C4S(=O)(=O)C.Cl

InChI

InChI=1S/C24H27N3O2S.ClH/c1-3-26-14-16-27(17-15-26)24-22-10-6-4-9-20(22)18-21(25-24)13-12-19-8-5-7-11-23(19)30(2,28)29;/h4-13,18H,3,14-17H2,1-2H3;1H/b13-12+;