dimethyl-[2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)-(phenylcarbonyl)amino]ethyl]azanium

Systemtic Name: dimethyl-[2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)-(phenylcarbonyl)amino]ethyl]azanium Openeye Name: 2-[benzoyl-(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[benzoyl-(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[benzoyl-(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[benzoyl-(6-mesyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C19H22N3O3S2+ MolecularWeight: 404.52628

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C)C(=O)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H21N3O3S2/c1-21(2)11-12-22(18(23)14-7-5-4-6-8-14)19-20-16-10-9-15(27(3,24)25)13-17(16)26-19/h4-10,13H,11-12H2,1-3H3/p+1