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

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-[4-(methylsulfonylmethyl)phenyl]isoquinoline Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-[4-(methylsulfonylmethyl)phenyl]isoquinoline CAS Name: 1-(4-ethyl-1-piperazinyl)-3-[4-(methylsulfonylmethyl)phenyl]isoquinoline IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-[4-(methylsulfonylmethyl)phenyl]isoquinoline Traditional Name: 1-(4-ethylpiperazino)-3-[4-(mesylmethyl)phenyl]isoquinoline Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O2S/c1-3-25-12-14-26(15-13-25)23-21-7-5-4-6-20(21)16-22(24-23)19-10-8-18(9-11-19)17-29(2,27)28/h4-11,16H,3,12-15,17H2,1-2H3