1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]ethanone CAS Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylethanone Traditional Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]ethanone Formula: C17H21N3O3S2 MolecularWeight: 379.49694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1)C)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=C(N1)C)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C17H21N3O3S2/c1-12-9-15(13(2)19-12)16(21)11-24-17-6-5-14(10-18-17)25(22,23)20-7-3-4-8-20/h5-6,9-10,19H,3-4,7-8,11H2,1-2H3