(2R)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide

Systemtic Name: (2R)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide Openeye Name: (2R)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-(3-morpholinosulfonylphenyl)propanamide CAS Name: (2R)-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-N-[3-(4-morpholinylsulfonyl)phenyl]propanamide IUPAC Name: (2R)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide Traditional Name: (2R)-2-[4-(2-furoyl)piperazin-1-ium-1-yl]-N-(3-morpholinosulfonylphenyl)propionamide Formula: C22H29N4O6S+ MolecularWeight: 477.55386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)[NH+]3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)[NH+]3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C22H28N4O6S/c1-17(24-7-9-25(10-8-24)22(28)20-6-3-13-32-20)21(27)23-18-4-2-5-19(16-18)33(29,30)26-11-14-31-15-12-26/h2-6,13,16-17H,7-12,14-15H2,1H3,(H,23,27)/p+1/t17-/m1/s1