N-(3,5-dimethylphenyl)-4-(2-sulfanylethanoyl)benzenesulfonamide

Systemtic Name: N-(3,5-dimethylphenyl)-4-(2-sulfanylethanoyl)benzenesulfonamide Openeye Name: N-(3,5-dimethylphenyl)-4-(2-sulfanylacetyl)benzenesulfonamide CAS Name: N-(3,5-dimethylphenyl)-4-(2-mercapto-1-oxoethyl)benzenesulfonamide IUPAC Name: N-(3,5-dimethylphenyl)-4-(2-sulfanylacetyl)benzenesulfonamide Traditional Name: N-(3,5-dimethylphenyl)-4-(2-mercaptoacetyl)benzenesulfonamide Formula: C16H17NO3S2 MolecularWeight: 335.44108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)CS)C

Isomeric SMILES

CC1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)CS)C

InChI

InChI=1S/C16H17NO3S2/c1-11-7-12(2)9-14(8-11)17-22(19,20)15-5-3-13(4-6-15)16(18)10-21/h3-9,17,21H,10H2,1-2H3