2-[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(furan-2-ylmethyl)ethanamide

Systemtic Name: 2-[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(furan-2-ylmethyl)ethanamide Openeye Name: 2-[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-furylmethyl)acetamide CAS Name: 2-[4-(4-bromo-2-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-furanylmethyl)acetamide IUPAC Name: 2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-furfuryl)acetamide Formula: C17H20BrClN3O4S+ MolecularWeight: 477.7804

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=CO2)S(=O)(=O)C3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=CO2)S(=O)(=O)C3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C17H19BrClN3O4S/c18-13-3-4-16(15(19)10-13)27(24,25)22-7-5-21(6-8-22)12-17(23)20-11-14-2-1-9-26-14/h1-4,9-10H,5-8,11-12H2,(H,20,23)/p+1