N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-quinazolin-4-ylsulfanyl-ethanamide

Systemtic Name: N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-2-(4-quinazolinylthio)acetamide IUPAC Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-(2-chloro-5-pyrrolidinosulfonyl-phenyl)-2-(quinazolin-4-ylthio)acetamide Formula: C20H19ClN4O3S2 MolecularWeight: 462.97286

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C20H19ClN4O3S2/c21-16-8-7-14(30(27,28)25-9-3-4-10-25)11-18(16)24-19(26)12-29-20-15-5-1-2-6-17(15)22-13-23-20/h1-2,5-8,11,13H,3-4,9-10,12H2,(H,24,26)