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

Systemtic Name: 2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-N-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-(4-methoxy-3-morpholinosulfonyl-phenyl)acetamide CAS Name: 2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-N-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: 2-[4-(2-furoyl)piperazin-1-ium-1-yl]-N-(4-methoxy-3-morpholinosulfonyl-phenyl)acetamide Formula: C22H29N4O7S+ MolecularWeight: 493.55326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CO3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CO3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H28N4O7S/c1-31-18-5-4-17(15-20(18)34(29,30)26-10-13-32-14-11-26)23-21(27)16-24-6-8-25(9-7-24)22(28)19-3-2-12-33-19/h2-5,12,15H,6-11,13-14,16H2,1H3,(H,23,27)/p+1