5-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]sulfonylisoquinoline

Systemtic Name: 5-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]sulfonylisoquinoline Openeye Name: 5-[4-[(E)-3-(4-chlorophenyl)allyl]piperazin-1-yl]sulfonylisoquinoline CAS Name: 5-[[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]-1-piperazinyl]sulfonyl]isoquinoline IUPAC Name: 5-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]sulfonylisoquinoline Traditional Name: 5-[4-[(E)-3-(4-chlorophenyl)allyl]piperazino]sulfonylisoquinoline Formula: C22H22ClN3O2S MolecularWeight: 427.94698

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC=CC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1CN(CCN1C/C=C/C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C22H22ClN3O2S/c23-20-8-6-18(7-9-20)3-2-12-25-13-15-26(16-14-25)29(27,28)22-5-1-4-19-17-24-11-10-21(19)22/h1-11,17H,12-16H2/b3-2+