2-[1,3-benzothiazol-2-yl-(3-methylsulfonylphenyl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[1,3-benzothiazol-2-yl-(3-methylsulfonylphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[1,3-benzothiazol-2-yl-(3-methylsulfonylbenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[1,3-benzothiazol-2-yl-[(3-methylsulfonylphenyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[1,3-benzothiazol-2-yl-(3-methylsulfonylbenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[1,3-benzothiazol-2-yl-(3-mesylbenzoyl)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=CC=CC=C2S1)C(=O)C3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC(=CC=C3)S(=O)(=O)C

InChI

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