4-methylsulfanyl-N-(4-prop-2-enoxyphenyl)-3-pyrrolidin-1-ylcarbonyl-benzenesulfonamide

Systemtic Name: 4-methylsulfanyl-N-(4-prop-2-enoxyphenyl)-3-pyrrolidin-1-ylcarbonyl-benzenesulfonamide Openeye Name: N-(4-allyloxyphenyl)-4-methylsulfanyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide CAS Name: 4-(methylthio)-3-[oxo(1-pyrrolidinyl)methyl]-N-(4-prop-2-enoxyphenyl)benzenesulfonamide IUPAC Name: 4-methylsulfanyl-N-(4-prop-2-enoxyphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide Traditional Name: N-(4-allyloxyphenyl)-4-(methylthio)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide Formula: C21H24N2O4S2 MolecularWeight: 432.55626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)OCC=C)C(=O)N3CCCC3

Isomeric SMILES

CSC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)OCC=C)C(=O)N3CCCC3

InChI

InChI=1S/C21H24N2O4S2/c1-3-14-27-17-8-6-16(7-9-17)22-29(25,26)18-10-11-20(28-2)19(15-18)21(24)23-12-4-5-13-23/h3,6-11,15,22H,1,4-5,12-14H2,2H3