4-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]sulfonylthiomorpholine

Systemtic Name: 4-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]sulfonylthiomorpholine Openeye Name: 4-[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]phenyl]sulfonylthiomorpholine CAS Name: 4-[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]phenyl]sulfonylthiomorpholine IUPAC Name: 4-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]sulfonylthiomorpholine Traditional Name: 4-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]phenyl]sulfonylthiomorpholine Formula: C25H30N4O2S2 MolecularWeight: 482.6613

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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)N5CCSCC5

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)S(=O)(=O)N5CCSCC5

InChI

InChI=1S/C25H30N4O2S2/c1-2-27-11-13-28(14-12-27)25-23-6-4-3-5-21(23)19-24(26-25)20-7-9-22(10-8-20)33(30,31)29-15-17-32-18-16-29/h3-10,19H,2,11-18H2,1H3