4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-1-thiophen-2-yl-butan-1-one

Systemtic Name: 4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-1-thiophen-2-yl-butan-1-one Openeye Name: 4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]-1-(2-thienyl)butan-1-one CAS Name: 4-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]-1-thiophen-2-yl-1-butanone IUPAC Name: 4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-1-thiophen-2-ylbutan-1-one Traditional Name: 4-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]-1-(2-thienyl)butan-1-one Formula: C17H20N2O3S3 MolecularWeight: 396.5473

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCCCC(=O)C3=CC=CS3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCCCC(=O)C3=CC=CS3

InChI

InChI=1S/C17H20N2O3S3/c20-15(16-6-4-11-23-16)5-3-12-24-17-8-7-14(13-18-17)25(21,22)19-9-1-2-10-19/h4,6-8,11,13H,1-3,5,9-10,12H2