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

Systemtic Name: 4-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]sulfonyl-N-(oxolan-2-ylmethyl)benzenesulfonamide Openeye Name: 4-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]sulfonyl-N-(tetrahydrofuran-2-ylmethyl)benzenesulfonamide CAS Name: 4-[[4-(2-cyanoethyl)-1-piperazin-4-iumyl]sulfonyl]-N-(2-oxolanylmethyl)benzenesulfonamide IUPAC Name: 4-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]sulfonyl-N-(oxolan-2-ylmethyl)benzenesulfonamide Traditional Name: 4-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]sulfonyl-N-(tetrahydrofurfuryl)benzenesulfonamide Formula: C18H27N4O5S2+ MolecularWeight: 443.56078

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CCC#N

Isomeric SMILES

C1CC(OC1)CNS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CCC#N

InChI

InChI=1S/C18H26N4O5S2/c19-8-2-9-21-10-12-22(13-11-21)29(25,26)18-6-4-17(5-7-18)28(23,24)20-15-16-3-1-14-27-16/h4-7,16,20H,1-3,9-15H2/p+1