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

Systemtic Name: 3-[1,3-benzothiazol-2-yl-(3-methylsulfonylphenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[1,3-benzothiazol-2-yl-(3-methylsulfonylbenzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[1,3-benzothiazol-2-yl-[(3-methylsulfonylphenyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[1,3-benzothiazol-2-yl-(3-methylsulfonylbenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[1,3-benzothiazol-2-yl-(3-mesylbenzoyl)amino]propyl-dimethyl-ammonium Formula: C20H24N3O3S2+ MolecularWeight: 418.55286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3S2/c1-22(2)12-7-13-23(20-21-17-10-4-5-11-18(17)27-20)19(24)15-8-6-9-16(14-15)28(3,25)26/h4-6,8-11,14H,7,12-13H2,1-3H3/p+1