2-heptylsulfanyl-1,3-benzothiazole-6-sulfonyl chloride

Systemtic Name: 2-heptylsulfanyl-1,3-benzothiazole-6-sulfonyl chloride Openeye Name: 2-heptylsulfanyl-1,3-benzothiazole-6-sulfonyl chloride CAS Name: 2-(heptylthio)-1,3-benzothiazole-6-sulfonyl chloride IUPAC Name: 2-heptylsulfanyl-1,3-benzothiazole-6-sulfonyl chloride Traditional Name: 2-(heptylthio)-1,3-benzothiazole-6-sulfonyl chloride Formula: C14H18ClNO2S3 MolecularWeight: 363.94622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)Cl

Isomeric SMILES

CCCCCCCSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)Cl

InChI

InChI=1S/C14H18ClNO2S3/c1-2-3-4-5-6-9-19-14-16-12-8-7-11(21(15,17)18)10-13(12)20-14/h7-8,10H,2-6,9H2,1H3