3-[(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-(2-methylsulfonylphenyl)carbonyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-(2-methylsulfonylphenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(2-methylsulfonylbenzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-[(2-methylsulfonylphenyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(2-methylsulfonylbenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(2-mesylbenzoyl)amino]propyl-dimethyl-ammonium Formula: C21H25ClN3O4S2+ MolecularWeight: 483.0239

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=C(C=CC(=C2S1)Cl)OC)C(=O)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(C=CC(=C2S1)Cl)OC)C(=O)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C21H24ClN3O4S2/c1-24(2)12-7-13-25(20(26)14-8-5-6-9-17(14)31(4,27)28)21-23-18-16(29-3)11-10-15(22)19(18)30-21/h5-6,8-11H,7,12-13H2,1-4H3/p+1