4-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]sulfonyl-N-ethyl-N-(phenylmethyl)benzenesulfonamide

Systemtic Name: 4-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]sulfonyl-N-ethyl-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-4-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]sulfonyl-N-ethyl-benzenesulfonamide CAS Name: 4-[[4-(2-cyanoethyl)-1-piperazin-4-iumyl]sulfonyl]-N-ethyl-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-4-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]sulfonyl-N-ethylbenzenesulfonamide Traditional Name: N-benzyl-4-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]sulfonyl-N-ethyl-benzenesulfonamide Formula: C22H29N4O4S2+ MolecularWeight: 477.62006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CCC#N

Isomeric SMILES

CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CCC#N

InChI

InChI=1S/C22H28N4O4S2/c1-2-25(19-20-7-4-3-5-8-20)31(27,28)21-9-11-22(12-10-21)32(29,30)26-17-15-24(16-18-26)14-6-13-23/h3-5,7-12H,2,6,14-19H2,1H3/p+1