N-(2-chloranyl-3-dodecylsulfanyl-phenyl)-1,3-benzothiazole-2-sulfonamide

Systemtic Name: N-(2-chloranyl-3-dodecylsulfanyl-phenyl)-1,3-benzothiazole-2-sulfonamide Openeye Name: N-(2-chloro-3-dodecylsulfanyl-phenyl)-1,3-benzothiazole-2-sulfonamide CAS Name: N-[2-chloro-3-(dodecylthio)phenyl]-1,3-benzothiazole-2-sulfonamide IUPAC Name: N-(2-chloro-3-dodecylsulfanylphenyl)-1,3-benzothiazole-2-sulfonamide Traditional Name: N-[2-chloro-3-(laurylthio)phenyl]-1,3-benzothiazole-2-sulfonamide Formula: C25H33ClN2O2S3 MolecularWeight: 525.18972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=CC=CC(=C1Cl)NS(=O)(=O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCCCCCCCCCSC1=CC=CC(=C1Cl)NS(=O)(=O)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C25H33ClN2O2S3/c1-2-3-4-5-6-7-8-9-10-13-19-31-23-18-14-16-21(24(23)26)28-33(29,30)25-27-20-15-11-12-17-22(20)32-25/h11-12,14-18,28H,2-10,13,19H2,1H3