N-(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-chloro-3-morpholinosulfonyl-phenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[4-chloro-3-(4-morpholinylsulfonyl)phenyl]-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-chloro-3-morpholinosulfonyl-phenyl)-2-[4-(2-furoyl)piperazin-1-ium-1-yl]acetamide Formula: C21H26ClN4O6S+ MolecularWeight: 497.97234

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3)C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C21H25ClN4O6S/c22-17-4-3-16(14-19(17)33(29,30)26-9-12-31-13-10-26)23-20(27)15-24-5-7-25(8-6-24)21(28)18-2-1-11-32-18/h1-4,11,14H,5-10,12-13,15H2,(H,23,27)/p+1