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

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-(pyrrolidin-1-ium-1-ylmethyl)furan-2-carboxamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-(pyrrolidin-1-ium-1-ylmethyl)furan-2-carboxamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-(1-pyrrolidin-1-iumylmethyl)-2-furancarboxamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-(pyrrolidin-1-ium-1-ylmethyl)furan-2-carboxamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-5-(pyrrolidin-1-ium-1-ylmethyl)-2-furamide Formula: C18H20N3O4S2+ MolecularWeight: 406.4991

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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+]4CCCC4

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(O3)C[NH+]4CCCC4

InChI

InChI=1S/C18H19N3O4S2/c1-27(23,24)13-5-6-14-16(10-13)26-18(19-14)20-17(22)15-7-4-12(25-15)11-21-8-2-3-9-21/h4-7,10H,2-3,8-9,11H2,1H3,(H,19,20,22)/p+1