4-chloranyl-N-[(2R)-2-phenyl-2-piperazin-4-ium-1-yl-ethyl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[(2R)-2-phenyl-2-piperazin-4-ium-1-yl-ethyl]benzenesulfonamide Openeye Name: 4-chloro-N-[(2R)-2-phenyl-2-piperazin-4-ium-1-yl-ethyl]benzenesulfonamide CAS Name: 4-chloro-N-[(2R)-2-phenyl-2-(1-piperazin-4-iumyl)ethyl]benzenesulfonamide IUPAC Name: 4-chloro-N-[(2R)-2-phenyl-2-piperazin-4-ium-1-ylethyl]benzenesulfonamide Traditional Name: 4-chloro-N-[(2R)-2-phenyl-2-piperazin-4-ium-1-yl-ethyl]benzenesulfonamide Formula: C18H23ClN3O2S+ MolecularWeight: 380.91212

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(CNS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH2+]1)[C@@H](CNS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C18H22ClN3O2S/c19-16-6-8-17(9-7-16)25(23,24)21-14-18(15-4-2-1-3-5-15)22-12-10-20-11-13-22/h1-9,18,20-21H,10-14H2/p+1/t18-/m0/s1