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

Systemtic Name: dimethyl-[2-[(4-methylsulfonyl-1,3-benzothiazol-2-yl)-(phenylcarbonyl)amino]ethyl]azanium Openeye Name: 2-[benzoyl-(4-methylsulfonyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[benzoyl-(4-methylsulfonyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[benzoyl-(4-methylsulfonyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[benzoyl-(4-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=CC=C2S(=O)(=O)C)C(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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