N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]-5-(phenylsulfonylmethyl)furan-2-carboxamide

Systemtic Name: N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]-5-(phenylsulfonylmethyl)furan-2-carboxamide Openeye Name: 5-(benzenesulfonylmethyl)-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]thiazol-2-yl]furan-2-carboxamide CAS Name: 5-(benzenesulfonylmethyl)-N-[4-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-2-thiazolyl]-2-furancarboxamide IUPAC Name: 5-(benzenesulfonylmethyl)-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide Traditional Name: 5-(besylmethyl)-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]thiazol-2-yl]-2-furamide Formula: C22H26N3O4S2+ MolecularWeight: 460.58954

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=CSC(=N2)NC(=O)C3=CC=C(O3)CS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=CSC(=N2)NC(=O)C3=CC=C(O3)CS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3O4S2/c1-16-6-5-11-25(12-16)13-17-14-30-22(23-17)24-21(26)20-10-9-18(29-20)15-31(27,28)19-7-3-2-4-8-19/h2-4,7-10,14,16H,5-6,11-13,15H2,1H3,(H,23,24,26)/p+1/t16-/m0/s1