(2R)-4-[[4-(furan-2-ylmethylsulfamoyl)phenyl]amino]-4-oxidanylidene-2-piperidin-1-ium-1-yl-butanoate

Systemtic Name: (2R)-4-[[4-(furan-2-ylmethylsulfamoyl)phenyl]amino]-4-oxidanylidene-2-piperidin-1-ium-1-yl-butanoate Openeye Name: (2R)-4-[4-(2-furylmethylsulfamoyl)anilino]-4-oxo-2-piperidin-1-ium-1-yl-butanoate CAS Name: (2R)-4-[4-(2-furanylmethylsulfamoyl)anilino]-4-oxo-2-(1-piperidin-1-iumyl)butanoate IUPAC Name: (2R)-4-[4-(furan-2-ylmethylsulfamoyl)anilino]-4-oxo-2-piperidin-1-ium-1-ylbutanoate Traditional Name: (2R)-4-[4-(2-furfurylsulfamoyl)anilino]-4-keto-2-piperidin-1-ium-1-yl-butyrate Formula: C20H25N3O6S MolecularWeight: 435.494

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)[C@H](CC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3)C(=O)[O-]

InChI

InChI=1S/C20H25N3O6S/c24-19(13-18(20(25)26)23-10-2-1-3-11-23)22-15-6-8-17(9-7-15)30(27,28)21-14-16-5-4-12-29-16/h4-9,12,18,21H,1-3,10-11,13-14H2,(H,22,24)(H,25,26)/t18-/m1/s1