2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-phenethyl-acetamide CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-phenethylacetamide IUPAC Name: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-phenethylacetamide Traditional Name: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-phenethyl-acetamide Formula: C20H25ClN3O3S+ MolecularWeight: 422.9488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H24ClN3O3S/c21-18-6-8-19(9-7-18)28(26,27)24-14-12-23(13-15-24)16-20(25)22-11-10-17-4-2-1-3-5-17/h1-9H,10-16H2,(H,22,25)/p+1