4-butoxy-N-(1-oxidanyl-3-sulfanyl-propan-2-yl)benzenesulfonamide

Systemtic Name: 4-butoxy-N-(1-oxidanyl-3-sulfanyl-propan-2-yl)benzenesulfonamide Openeye Name: 4-butoxy-N-[1-(hydroxymethyl)-2-sulfanyl-ethyl]benzenesulfonamide CAS Name: 4-butoxy-N-(1-hydroxy-3-mercaptopropan-2-yl)benzenesulfonamide IUPAC Name: 4-butoxy-N-(1-hydroxy-3-sulfanylpropan-2-yl)benzenesulfonamide Traditional Name: 4-butoxy-N-[2-hydroxy-1-(mercaptomethyl)ethyl]benzenesulfonamide Formula: C13H21NO4S2 MolecularWeight: 319.44014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)NC(CO)CS

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)NC(CO)CS

InChI

InChI=1S/C13H21NO4S2/c1-2-3-8-18-12-4-6-13(7-5-12)20(16,17)14-11(9-15)10-19/h4-7,11,14-15,19H,2-3,8-10H2,1H3