N-(2,6-diethylphenyl)-4-methylsulfanyl-3-pyrrolidin-1-ylcarbonyl-benzenesulfonamide

Systemtic Name: N-(2,6-diethylphenyl)-4-methylsulfanyl-3-pyrrolidin-1-ylcarbonyl-benzenesulfonamide Openeye Name: N-(2,6-diethylphenyl)-4-methylsulfanyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide CAS Name: N-(2,6-diethylphenyl)-4-(methylthio)-3-[oxo(1-pyrrolidinyl)methyl]benzenesulfonamide IUPAC Name: N-(2,6-diethylphenyl)-4-methylsulfanyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide Traditional Name: N-(2,6-diethylphenyl)-4-(methylthio)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide Formula: C22H28N2O3S2 MolecularWeight: 432.59932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NS(=O)(=O)C2=CC(=C(C=C2)SC)C(=O)N3CCCC3

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NS(=O)(=O)C2=CC(=C(C=C2)SC)C(=O)N3CCCC3

InChI

InChI=1S/C22H28N2O3S2/c1-4-16-9-8-10-17(5-2)21(16)23-29(26,27)18-11-12-20(28-3)19(15-18)22(25)24-13-6-7-14-24/h8-12,15,23H,4-7,13-14H2,1-3H3