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

Systemtic Name: 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(furan-2-ylmethyl)ethanamide Openeye Name: 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-furylmethyl)acetamide CAS Name: 2-[4-(2-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-furanylmethyl)acetamide IUPAC Name: 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-furfuryl)acetamide Formula: C17H21ClN3O4S+ MolecularWeight: 398.88434

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=CO2)S(=O)(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=CO2)S(=O)(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C17H20ClN3O4S/c18-15-5-1-2-6-16(15)26(23,24)21-9-7-20(8-10-21)13-17(22)19-12-14-4-3-11-25-14/h1-6,11H,7-10,12-13H2,(H,19,22)/p+1