N-[(4-octylphenyl)methyl]-1-oxidanyl-2-sulfanyl-butane-1-sulfonamide

Systemtic Name: N-[(4-octylphenyl)methyl]-1-oxidanyl-2-sulfanyl-butane-1-sulfonamide Openeye Name: 1-hydroxy-N-[(4-octylphenyl)methyl]-2-sulfanyl-butane-1-sulfonamide CAS Name: 1-hydroxy-2-mercapto-N-[(4-octylphenyl)methyl]-1-butanesulfonamide IUPAC Name: 1-hydroxy-N-[(4-octylphenyl)methyl]-2-sulfanylbutane-1-sulfonamide Traditional Name: 1-hydroxy-2-mercapto-N-(4-octylbenzyl)butane-1-sulfonamide Formula: C19H33NO3S2 MolecularWeight: 387.60022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)CNS(=O)(=O)C(C(CC)S)O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)CNS(=O)(=O)C(C(CC)S)O

InChI

InChI=1S/C19H33NO3S2/c1-3-5-6-7-8-9-10-16-11-13-17(14-12-16)15-20-25(22,23)19(21)18(24)4-2/h11-14,18-21,24H,3-10,15H2,1-2H3