2-cyano-N-[2-oxidanylidene-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzenesulfonamide

Systemtic Name: 2-cyano-N-[2-oxidanylidene-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzenesulfonamide Openeye Name: 2-cyano-N-[2-oxo-2-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]ethyl]benzenesulfonamide CAS Name: 2-cyano-N-[2-oxo-2-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]ethyl]benzenesulfonamide IUPAC Name: 2-cyano-N-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzenesulfonamide Traditional Name: 2-cyano-N-[2-keto-2-[4-(3-thenyl)piperazin-4-ium-1-yl]ethyl]benzenesulfonamide Formula: C18H21N4O3S2+ MolecularWeight: 405.51434

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)CNS(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)CNS(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C18H20N4O3S2/c19-11-16-3-1-2-4-17(16)27(24,25)20-12-18(23)22-8-6-21(7-9-22)13-15-5-10-26-14-15/h1-5,10,14,20H,6-9,12-13H2/p+1