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

Systemtic Name: 4-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]sulfonyl-N-cyclopropyl-benzenesulfonamide Openeye Name: 4-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]sulfonyl-N-cyclopropyl-benzenesulfonamide CAS Name: 4-[[4-(2-cyanoethyl)-1-piperazin-4-iumyl]sulfonyl]-N-cyclopropylbenzenesulfonamide IUPAC Name: 4-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]sulfonyl-N-cyclopropylbenzenesulfonamide Traditional Name: 4-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]sulfonyl-N-cyclopropyl-benzenesulfonamide Formula: C16H23N4O4S2+ MolecularWeight: 399.50822

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CCC#N

Isomeric SMILES

C1CC1NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CCC#N

InChI

InChI=1S/C16H22N4O4S2/c17-8-1-9-19-10-12-20(13-11-19)26(23,24)16-6-4-15(5-7-16)25(21,22)18-14-2-3-14/h4-7,14,18H,1-3,9-13H2/p+1