5-[4-(phenylmethyl)piperazin-1-yl]sulfonylisoquinoline

Systemtic Name: 5-[4-(phenylmethyl)piperazin-1-yl]sulfonylisoquinoline Openeye Name: 5-(4-benzylpiperazin-1-yl)sulfonylisoquinoline CAS Name: 5-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]isoquinoline IUPAC Name: 5-(4-benzylpiperazin-1-yl)sulfonylisoquinoline Traditional Name: 5-(4-benzylpiperazino)sulfonylisoquinoline Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C20H21N3O2S/c24-26(25,20-8-4-7-18-15-21-10-9-19(18)20)23-13-11-22(12-14-23)16-17-5-2-1-3-6-17/h1-10,15H,11-14,16H2