1,3-benzothiazol-2-ylmethyl-[2-[2,5-bis(chloranyl)phenyl]sulfonylethyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[2,5-bis(chloranyl)phenyl]sulfonylethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-(2,5-dichlorophenyl)sulfonylethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-(2,5-dichlorophenyl)sulfonylethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-(2,5-dichlorophenyl)sulfonylethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-(2,5-dichlorophenyl)sulfonylethyl]-methyl-ammonium Formula: C17H17Cl2N2O2S2+ MolecularWeight: 416.36508

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCS(=O)(=O)C1=C(C=CC(=C1)Cl)Cl)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[NH+](CCS(=O)(=O)C1=C(C=CC(=C1)Cl)Cl)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H16Cl2N2O2S2/c1-21(11-17-20-14-4-2-3-5-15(14)24-17)8-9-25(22,23)16-10-12(18)6-7-13(16)19/h2-7,10H,8-9,11H2,1H3/p+1