2-(4-oxidanyl-2-oxidanylidene-3H-1,3-benzothiazol-7-yl)ethyl-[2-(3-phenethyloxypropylsulfonyl)ethyl]azanium chloride

Systemtic Name: 2-(4-oxidanyl-2-oxidanylidene-3H-1,3-benzothiazol-7-yl)ethyl-[2-(3-phenethyloxypropylsulfonyl)ethyl]azanium chloride Openeye Name: 2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl-[2-(3-phenethyloxypropylsulfonyl)ethyl]ammonium chloride CAS Name: 2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl-[2-(3-phenethyloxypropylsulfonyl)ethyl]ammonium chloride IUPAC Name: 2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl-[2-(3-phenethyloxypropylsulfonyl)ethyl]azanium chloride Traditional Name: 2-(4-hydroxy-2-keto-3H-1,3-benzothiazol-7-yl)ethyl-[2-(3-phenethyloxypropylsulfonyl)ethyl]ammonium chloride Formula: C22H29ClN2O5S2 MolecularWeight: 501.05906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOCCCS(=O)(=O)CC[NH2+]CCC2=C3C(=C(C=C2)O)NC(=O)S3.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)CCOCCCS(=O)(=O)CC[NH2+]CCC2=C3C(=C(C=C2)O)NC(=O)S3.[Cl-]

InChI

InChI=1S/C22H28N2O5S2.ClH/c25-19-8-7-18(21-20(19)24-22(26)30-21)9-11-23-12-16-31(27,28)15-4-13-29-14-10-17-5-2-1-3-6-17;/h1-3,5-8,23,25H,4,9-16H2,(H,24,26);1H