4-chloranyl-N-[1-[4-(2-cyanoethyl)piperazin-1-ium-1-yl]-2-methyl-propan-2-yl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[1-[4-(2-cyanoethyl)piperazin-1-ium-1-yl]-2-methyl-propan-2-yl]benzenesulfonamide Openeye Name: 4-chloro-N-[2-[4-(2-cyanoethyl)piperazin-1-ium-1-yl]-1,1-dimethyl-ethyl]benzenesulfonamide CAS Name: 4-chloro-N-[1-[4-(2-cyanoethyl)-1-piperazin-1-iumyl]-2-methylpropan-2-yl]benzenesulfonamide IUPAC Name: 4-chloro-N-[1-[4-(2-cyanoethyl)piperazin-1-ium-1-yl]-2-methylpropan-2-yl]benzenesulfonamide Traditional Name: 4-chloro-N-[2-[4-(2-cyanoethyl)piperazin-1-ium-1-yl]-1,1-dimethyl-ethyl]benzenesulfonamide Formula: C17H26ClN4O2S+ MolecularWeight: 385.93194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C[NH+]1CCN(CC1)CCC#N)NS(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C[NH+]1CCN(CC1)CCC#N)NS(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H25ClN4O2S/c1-17(2,14-22-12-10-21(11-13-22)9-3-8-19)20-25(23,24)16-6-4-15(18)5-7-16/h4-7,20H,3,9-14H2,1-2H3/p+1