4-methylsulfanyl-N-[(2S)-pentan-2-yl]-3-pyrrolidin-1-ylcarbonyl-benzenesulfonamide

Systemtic Name: 4-methylsulfanyl-N-[(2S)-pentan-2-yl]-3-pyrrolidin-1-ylcarbonyl-benzenesulfonamide Openeye Name: N-[(1S)-1-methylbutyl]-4-methylsulfanyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide CAS Name: 4-(methylthio)-3-[oxo(1-pyrrolidinyl)methyl]-N-[(2S)-pentan-2-yl]benzenesulfonamide IUPAC Name: 4-methylsulfanyl-N-[(2S)-pentan-2-yl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide Traditional Name: N-[(1S)-1-methylbutyl]-4-(methylthio)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide Formula: C17H26N2O3S2 MolecularWeight: 370.52994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NS(=O)(=O)C1=CC(=C(C=C1)SC)C(=O)N2CCCC2

Isomeric SMILES

CCC[C@H](C)NS(=O)(=O)C1=CC(=C(C=C1)SC)C(=O)N2CCCC2

InChI

InChI=1S/C17H26N2O3S2/c1-4-7-13(2)18-24(21,22)14-8-9-16(23-3)15(12-14)17(20)19-10-5-6-11-19/h8-9,12-13,18H,4-7,10-11H2,1-3H3/t13-/m0/s1