5-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]-2,3-bis(oxidanyl)pentane-1-sulfonamide

Systemtic Name: 5-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]-2,3-bis(oxidanyl)pentane-1-sulfonamide Openeye Name: 5-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydroxy-pentane-1-sulfonamide CAS Name: 5-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydroxy-1-pentanesulfonamide IUPAC Name: 5-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydroxypentane-1-sulfonamide Traditional Name: 5-cyclohexyl-2,3-dihydroxy-N-veratryl-pentane-1-sulfonamide Formula: C20H33NO6S MolecularWeight: 415.54412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNS(=O)(=O)CC(C(CCC2CCCCC2)O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNS(=O)(=O)CC(C(CCC2CCCCC2)O)O)OC

InChI

InChI=1S/C20H33NO6S/c1-26-19-11-9-16(12-20(19)27-2)13-21-28(24,25)14-18(23)17(22)10-8-15-6-4-3-5-7-15/h9,11-12,15,17-18,21-23H,3-8,10,13-14H2,1-2H3