5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]sulfonylisoquinoline

Systemtic Name: 5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]sulfonylisoquinoline Openeye Name: 5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]sulfonylisoquinoline CAS Name: 5-[[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]sulfonyl]isoquinoline IUPAC Name: 5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]sulfonylisoquinoline Traditional Name: 5-[4-(4-chlorophenyl)sulfonylpiperazino]sulfonylisoquinoline Formula: C19H18ClN3O4S2 MolecularWeight: 451.94692

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C19H18ClN3O4S2/c20-16-4-6-17(7-5-16)28(24,25)22-10-12-23(13-11-22)29(26,27)19-3-1-2-15-14-21-9-8-18(15)19/h1-9,14H,10-13H2