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

Systemtic Name: N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-2-(4-quinazolinylthio)acetamide IUPAC Name: N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-(2-chloro-5-piperidinosulfonyl-phenyl)-2-(quinazolin-4-ylthio)acetamide Formula: C21H21ClN4O3S2 MolecularWeight: 476.99944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C21H21ClN4O3S2/c22-17-9-8-15(31(28,29)26-10-4-1-5-11-26)12-19(17)25-20(27)13-30-21-16-6-2-3-7-18(16)23-14-24-21/h2-3,6-9,12,14H,1,4-5,10-11,13H2,(H,25,27)