4-[2,5-dimethyl-3-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]pyrrol-1-yl]benzenesulfonamide

Systemtic Name: 4-[2,5-dimethyl-3-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]pyrrol-1-yl]benzenesulfonamide Openeye Name: 4-[2,5-dimethyl-3-[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]pyrrol-1-yl]benzenesulfonamide CAS Name: 4-[2,5-dimethyl-3-[1-oxo-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]ethyl]-1-pyrrolyl]benzenesulfonamide IUPAC Name: 4-[2,5-dimethyl-3-[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]pyrrol-1-yl]benzenesulfonamide Traditional Name: 4-[3-[2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]acetyl]-2,5-dimethyl-pyrrol-1-yl]benzenesulfonamide Formula: C21H24N4O4S2 MolecularWeight: 460.56966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)S(=O)(=O)N)C

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)S(=O)(=O)N)C

InChI

InChI=1S/C21H24N4O4S2/c1-4-5-15-11-20(27)24-21(23-15)30-12-19(26)18-10-13(2)25(14(18)3)16-6-8-17(9-7-16)31(22,28)29/h6-11H,4-5,12H2,1-3H3,(H2,22,28,29)(H,23,24,27)