N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-(piperidin-1-ium-1-ylmethyl)furan-2-carboxamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-(piperidin-1-ium-1-ylmethyl)furan-2-carboxamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-(piperidin-1-ium-1-ylmethyl)furan-2-carboxamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-(1-piperidin-1-iumylmethyl)-2-furancarboxamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-(piperidin-1-ium-1-ylmethyl)furan-2-carboxamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-5-(piperidin-1-ium-1-ylmethyl)-2-furamide Formula: C19H22N3O4S2+ MolecularWeight: 420.52568

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(O3)C[NH+]4CCCCC4

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(O3)C[NH+]4CCCCC4

InChI

InChI=1S/C19H21N3O4S2/c1-28(24,25)14-6-7-15-17(11-14)27-19(20-15)21-18(23)16-8-5-13(26-16)12-22-9-3-2-4-10-22/h5-8,11H,2-4,9-10,12H2,1H3,(H,20,21,23)/p+1