N-cyclohexyl-N-[2,4,5-tris(chloranyl)phenyl]sulfanyl-1,3-benzothiazole-2-sulfonamide

Systemtic Name: N-cyclohexyl-N-[2,4,5-tris(chloranyl)phenyl]sulfanyl-1,3-benzothiazole-2-sulfonamide Openeye Name: N-cyclohexyl-N-(2,4,5-trichlorophenyl)sulfanyl-1,3-benzothiazole-2-sulfonamide CAS Name: N-cyclohexyl-N-[(2,4,5-trichlorophenyl)thio]-1,3-benzothiazole-2-sulfonamide IUPAC Name: N-cyclohexyl-N-(2,4,5-trichlorophenyl)sulfanyl-1,3-benzothiazole-2-sulfonamide Traditional Name: N-cyclohexyl-N-[(2,4,5-trichlorophenyl)thio]-1,3-benzothiazole-2-sulfonamide Formula: C19H17Cl3N2O2S3 MolecularWeight: 507.90448

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(SC2=CC(=C(C=C2Cl)Cl)Cl)S(=O)(=O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCC(CC1)N(SC2=CC(=C(C=C2Cl)Cl)Cl)S(=O)(=O)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H17Cl3N2O2S3/c20-13-10-15(22)18(11-14(13)21)28-24(12-6-2-1-3-7-12)29(25,26)19-23-16-8-4-5-9-17(16)27-19/h4-5,8-12H,1-3,6-7H2