4-chloranylbenzenesulfonate; N-[2-(5-chloranyl-2-methyl-1,3-benzoxazol-3-ium-3-yl)ethyl]methanesulfonamide

Systemtic Name: 4-chloranylbenzenesulfonate; N-[2-(5-chloranyl-2-methyl-1,3-benzoxazol-3-ium-3-yl)ethyl]methanesulfonamide Openeye Name: 4-chlorobenzenesulfonate; N-[2-(5-chloro-2-methyl-1,3-benzoxazol-3-ium-3-yl)ethyl]methanesulfonamide CAS Name: 4-chlorobenzenesulfonate; N-[2-(5-chloro-2-methyl-1,3-benzoxazol-3-ium-3-yl)ethyl]methanesulfonamide IUPAC Name: 4-chlorobenzenesulfonate; N-[2-(5-chloro-2-methyl-1,3-benzoxazol-3-ium-3-yl)ethyl]methanesulfonamide Traditional Name: 4-chlorobesylate; N-[2-(5-chloro-2-methyl-1,3-benzoxazol-3-ium-3-yl)ethyl]methanesulfonamide Formula: C17H18Cl2N2O6S2 MolecularWeight: 481.37062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(O1)C=CC(=C2)Cl)CCNS(=O)(=O)C.C1=CC(=CC=C1S(=O)(=O)[O-])Cl

Isomeric SMILES

CC1=[N+](C2=C(O1)C=CC(=C2)Cl)CCNS(=O)(=O)C.C1=CC(=CC=C1S(=O)(=O)[O-])Cl

InChI

InChI=1S/C11H14ClN2O3S.C6H5ClO3S/c1-8-14(6-5-13-18(2,15)16)10-7-9(12)3-4-11(10)17-8;7-5-1-3-6(4-2-5)11(8,9)10/h3-4,7,13H,5-6H2,1-2H3;1-4H,(H,8,9,10)/q+1;/p-1