N-cyclohexyl-N-(phenylmethylsulfanyl)-1,3-benzothiazole-2-sulfonamide

Systemtic Name: N-cyclohexyl-N-(phenylmethylsulfanyl)-1,3-benzothiazole-2-sulfonamide Openeye Name: N-benzylsulfanyl-N-cyclohexyl-1,3-benzothiazole-2-sulfonamide CAS Name: N-cyclohexyl-N-(phenylmethylthio)-1,3-benzothiazole-2-sulfonamide IUPAC Name: N-benzylsulfanyl-N-cyclohexyl-1,3-benzothiazole-2-sulfonamide Traditional Name: N-(benzylthio)-N-cyclohexyl-1,3-benzothiazole-2-sulfonamide Formula: C20H22N2O2S3 MolecularWeight: 418.59588

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(SCC2=CC=CC=C2)S(=O)(=O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCC(CC1)N(SCC2=CC=CC=C2)S(=O)(=O)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H22N2O2S3/c23-27(24,20-21-18-13-7-8-14-19(18)26-20)22(17-11-5-2-6-12-17)25-15-16-9-3-1-4-10-16/h1,3-4,7-10,13-14,17H,2,5-6,11-12,15H2