2-(cyclohexylmethylsulfanyl)-1,3-benzothiazole-6-sulfonyl chloride

Systemtic Name: 2-(cyclohexylmethylsulfanyl)-1,3-benzothiazole-6-sulfonyl chloride Openeye Name: 2-(cyclohexylmethylsulfanyl)-1,3-benzothiazole-6-sulfonyl chloride CAS Name: 2-(cyclohexylmethylthio)-1,3-benzothiazole-6-sulfonyl chloride IUPAC Name: 2-(cyclohexylmethylsulfanyl)-1,3-benzothiazole-6-sulfonyl chloride Traditional Name: 2-(cyclohexylmethylthio)-1,3-benzothiazole-6-sulfonyl chloride Formula: C14H16ClNO2S3 MolecularWeight: 361.93034

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CSC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)Cl

Isomeric SMILES

C1CCC(CC1)CSC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)Cl

InChI

InChI=1S/C14H16ClNO2S3/c15-21(17,18)11-6-7-12-13(8-11)20-14(16-12)19-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2