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

Systemtic Name: 4-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]sulfonyl-N-cyclohexyl-benzenesulfonamide Openeye Name: 4-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]sulfonyl-N-cyclohexyl-benzenesulfonamide CAS Name: 4-[[4-(2-cyanoethyl)-1-piperazin-4-iumyl]sulfonyl]-N-cyclohexylbenzenesulfonamide IUPAC Name: 4-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]sulfonyl-N-cyclohexylbenzenesulfonamide Traditional Name: 4-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]sulfonyl-N-cyclohexyl-benzenesulfonamide Formula: C19H29N4O4S2+ MolecularWeight: 441.58796

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CCC#N

Isomeric SMILES

C1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CCC#N

InChI

InChI=1S/C19H28N4O4S2/c20-11-4-12-22-13-15-23(16-14-22)29(26,27)19-9-7-18(8-10-19)28(24,25)21-17-5-2-1-3-6-17/h7-10,17,21H,1-6,12-16H2/p+1