N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-[3-(2-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-[3-(2-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]-2-[3-(2-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-2-[[3-(2-fluorophenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-chloro-5-piperidinosulfonyl-phenyl)-2-[[3-(2-fluorophenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C27H24ClFN4O4S2 MolecularWeight: 587.085263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5F

InChI

InChI=1S/C27H24ClFN4O4S2/c28-20-13-12-18(39(36,37)32-14-6-1-7-15-32)16-23(20)30-25(34)17-38-27-31-22-10-4-2-8-19(22)26(35)33(27)24-11-5-3-9-21(24)29/h2-5,8-13,16H,1,6-7,14-15,17H2,(H,30,34)