1-(4-ethylpiperazin-1-yl)-3-[(E)-2-[4-(methylsulfonylmethyl)phenyl]ethenyl]isoquinoline

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-[(E)-2-[4-(methylsulfonylmethyl)phenyl]ethenyl]isoquinoline Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-[(E)-2-[4-(methylsulfonylmethyl)phenyl]vinyl]isoquinoline CAS Name: 1-(4-ethyl-1-piperazinyl)-3-[(E)-2-[4-(methylsulfonylmethyl)phenyl]ethenyl]isoquinoline IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-[(E)-2-[4-(methylsulfonylmethyl)phenyl]ethenyl]isoquinoline Traditional Name: 1-(4-ethylpiperazino)-3-[(E)-2-[4-(mesylmethyl)phenyl]vinyl]isoquinoline Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C=CC4=CC=C(C=C4)CS(=O)(=O)C

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)/C=C/C4=CC=C(C=C4)CS(=O)(=O)C

InChI

InChI=1S/C25H29N3O2S/c1-3-27-14-16-28(17-15-27)25-24-7-5-4-6-22(24)18-23(26-25)13-12-20-8-10-21(11-9-20)19-31(2,29)30/h4-13,18H,3,14-17,19H2,1-2H3/b13-12+