2-[(6-methoxy-1,3-benzothiazol-2-yl)-(4-methylsulfonylphenyl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(6-methoxy-1,3-benzothiazol-2-yl)-(4-methylsulfonylphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-methoxy-1,3-benzothiazol-2-yl)-(4-methylsulfonylbenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-methoxy-1,3-benzothiazol-2-yl)-[(4-methylsulfonylphenyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-methoxy-1,3-benzothiazol-2-yl)-(4-methylsulfonylbenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-mesylbenzoyl)-(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C20H24N3O4S2+ MolecularWeight: 434.55226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4S2/c1-22(2)11-12-23(19(24)14-5-8-16(9-6-14)29(4,25)26)20-21-17-10-7-15(27-3)13-18(17)28-20/h5-10,13H,11-12H2,1-4H3/p+1