4-cyano-N-[3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propyl]benzenesulfonamide

Systemtic Name: 4-cyano-N-[3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propyl]benzenesulfonamide Openeye Name: N-[3-(4-benzylpiperazin-1-ium-1-yl)propyl]-4-cyano-benzenesulfonamide CAS Name: 4-cyano-N-[3-[4-(phenylmethyl)-1-piperazin-1-iumyl]propyl]benzenesulfonamide IUPAC Name: N-[3-(4-benzylpiperazin-1-ium-1-yl)propyl]-4-cyanobenzenesulfonamide Traditional Name: N-[3-(4-benzylpiperazin-1-ium-1-yl)propyl]-4-cyano-benzenesulfonamide Formula: C21H27N4O2S+ MolecularWeight: 399.52968

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCNS(=O)(=O)C2=CC=C(C=C2)C#N)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCCNS(=O)(=O)C2=CC=C(C=C2)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N4O2S/c22-17-19-7-9-21(10-8-19)28(26,27)23-11-4-12-24-13-15-25(16-14-24)18-20-5-2-1-3-6-20/h1-3,5-10,23H,4,11-16,18H2/p+1