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

Systemtic Name: 3-[1,3-benzothiazol-2-yl-(4-methylsulfonylphenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[1,3-benzothiazol-2-yl-(4-methylsulfonylbenzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[1,3-benzothiazol-2-yl-[(4-methylsulfonylphenyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[1,3-benzothiazol-2-yl-(4-methylsulfonylbenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[1,3-benzothiazol-2-yl-(4-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=C(C=C3)S(=O)(=O)C

Isomeric SMILES

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

InChI

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