N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-1-ium-4-yl]-3-(phenylsulfonylmethyl)furan-2-carboxamide

Systemtic Name: N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-1-ium-4-yl]-3-(phenylsulfonylmethyl)furan-2-carboxamide Openeye Name: N-[1-(2-amino-2-oxo-ethyl)piperidin-1-ium-4-yl]-3-(benzenesulfonylmethyl)furan-2-carboxamide CAS Name: N-[1-(2-amino-2-oxoethyl)-4-piperidin-1-iumyl]-3-(benzenesulfonylmethyl)-2-furancarboxamide IUPAC Name: N-[1-(2-amino-2-oxoethyl)piperidin-1-ium-4-yl]-3-(benzenesulfonylmethyl)furan-2-carboxamide Traditional Name: N-[1-(2-amino-2-keto-ethyl)piperidin-1-ium-4-yl]-3-(besylmethyl)-2-furamide Formula: C19H24N3O5S+ MolecularWeight: 406.47596

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=C(C=CO2)CS(=O)(=O)C3=CC=CC=C3)CC(=O)N

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=C(C=CO2)CS(=O)(=O)C3=CC=CC=C3)CC(=O)N

InChI

InChI=1S/C19H23N3O5S/c20-17(23)12-22-9-6-15(7-10-22)21-19(24)18-14(8-11-27-18)13-28(25,26)16-4-2-1-3-5-16/h1-5,8,11,15H,6-7,9-10,12-13H2,(H2,20,23)(H,21,24)/p+1