N-cyclohexyl-N-(2-methylundecan-2-ylsulfanyl)-1,3-benzothiazole-2-sulfonamide

Systemtic Name: N-cyclohexyl-N-(2-methylundecan-2-ylsulfanyl)-1,3-benzothiazole-2-sulfonamide Openeye Name: N-cyclohexyl-N-(1,1-dimethyldecylsulfanyl)-1,3-benzothiazole-2-sulfonamide CAS Name: N-cyclohexyl-N-(2-methylundecan-2-ylthio)-1,3-benzothiazole-2-sulfonamide IUPAC Name: N-cyclohexyl-N-(2-methylundecan-2-ylsulfanyl)-1,3-benzothiazole-2-sulfonamide Traditional Name: N-cyclohexyl-N-(1,1-dimethyldecylthio)-1,3-benzothiazole-2-sulfonamide Formula: C25H40N2O2S3 MolecularWeight: 496.7923

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C)(C)SN(C1CCCCC1)S(=O)(=O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCCCCCCC(C)(C)SN(C1CCCCC1)S(=O)(=O)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C25H40N2O2S3/c1-4-5-6-7-8-9-15-20-25(2,3)31-27(21-16-11-10-12-17-21)32(28,29)24-26-22-18-13-14-19-23(22)30-24/h13-14,18-19,21H,4-12,15-17,20H2,1-3H3