2-[furan-2-ylcarbonyl-(4-methylsulfonyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[furan-2-ylcarbonyl-(4-methylsulfonyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[furan-2-carbonyl-(4-methylsulfonyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-furanyl(oxo)methyl]-(4-methylsulfonyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[furan-2-carbonyl-(4-methylsulfonyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[2-furoyl-(4-mesyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C17H20N3O4S2+ MolecularWeight: 394.4884

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=C(S1)C=CC=C2S(=O)(=O)C)C(=O)C3=CC=CO3

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=C(S1)C=CC=C2S(=O)(=O)C)C(=O)C3=CC=CO3

InChI

InChI=1S/C17H19N3O4S2/c1-19(2)9-10-20(16(21)12-6-5-11-24-12)17-18-15-13(25-17)7-4-8-14(15)26(3,22)23/h4-8,11H,9-10H2,1-3H3/p+1