4-butoxy-N-prop-2-ynyl-N-(1-sulfanylpropan-2-yl)benzenesulfonamide

Systemtic Name: 4-butoxy-N-prop-2-ynyl-N-(1-sulfanylpropan-2-yl)benzenesulfonamide Openeye Name: 4-butoxy-N-(1-methyl-2-sulfanyl-ethyl)-N-prop-2-ynyl-benzenesulfonamide CAS Name: 4-butoxy-N-(1-mercaptopropan-2-yl)-N-prop-2-ynylbenzenesulfonamide IUPAC Name: 4-butoxy-N-prop-2-ynyl-N-(1-sulfanylpropan-2-yl)benzenesulfonamide Traditional Name: 4-butoxy-N-(2-mercapto-1-methyl-ethyl)-N-propargyl-benzenesulfonamide Formula: C16H23NO3S2 MolecularWeight: 341.48872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)N(CC#C)C(C)CS

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N(CC#C)C(C)CS

InChI

InChI=1S/C16H23NO3S2/c1-4-6-12-20-15-7-9-16(10-8-15)22(18,19)17(11-5-2)14(3)13-21/h2,7-10,14,21H,4,6,11-13H2,1,3H3