(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)-(4-oxidanylpiperidin-1-yl)methanone

Systemtic Name: (1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)-(4-oxidanylpiperidin-1-yl)methanone Openeye Name: (4-hydroxy-1-piperidyl)-[1-(2-naphthylsulfonyl)-4-sulfanyl-pyrrolidin-2-yl]methanone CAS Name: (4-hydroxy-1-piperidinyl)-[4-mercapto-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]methanone IUPAC Name: (4-hydroxypiperidin-1-yl)-(1-naphthalen-2-ylsulfonyl-4-sulfanylpyrrolidin-2-yl)methanone Traditional Name: (4-hydroxypiperidino)-[4-mercapto-1-(2-naphthylsulfonyl)pyrrolidin-2-yl]methanone Formula: C20H24N2O4S2 MolecularWeight: 420.54556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)C(=O)C2CC(CN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

Isomeric SMILES

C1CN(CCC1O)C(=O)C2CC(CN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

InChI

InChI=1S/C20H24N2O4S2/c23-16-7-9-21(10-8-16)20(24)19-12-17(27)13-22(19)28(25,26)18-6-5-14-3-1-2-4-15(14)11-18/h1-6,11,16-17,19,23,27H,7-10,12-13H2