2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(4-methylsulfonylphenyl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(4-methylsulfonylphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(4-methylsulfonylbenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-[(4-methylsulfonylphenyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(4-methylsulfonylbenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(4-mesylbenzoyl)amino]ethyl-dimethyl-ammonium Formula: C21H26N3O5S2+ MolecularWeight: 464.57824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5S2/c1-23(2)12-13-24(20(25)14-6-8-15(9-7-14)31(5,26)27)21-22-18-16(28-3)10-11-17(29-4)19(18)30-21/h6-11H,12-13H2,1-5H3/p+1