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

Systemtic Name: 3-[(6-chloranyl-1,3-benzothiazol-2-yl)-(4-methylsulfonylphenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(6-chloro-1,3-benzothiazol-2-yl)-(4-methylsulfonylbenzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(6-chloro-1,3-benzothiazol-2-yl)-[(4-methylsulfonylphenyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(6-chloro-1,3-benzothiazol-2-yl)-(4-methylsulfonylbenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(6-chloro-1,3-benzothiazol-2-yl)-(4-mesylbenzoyl)amino]propyl-dimethyl-ammonium Formula: C20H23ClN3O3S2+ MolecularWeight: 452.99792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O3S2/c1-23(2)11-4-12-24(20-22-17-10-7-15(21)13-18(17)28-20)19(25)14-5-8-16(9-6-14)29(3,26)27/h5-10,13H,4,11-12H2,1-3H3/p+1