N-(4-piperidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanyl-propanamide

Systemtic Name: N-(4-piperidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanyl-propanamide Openeye Name: N-[4-(1-piperidylsulfonyl)phenyl]-2-quinazolin-4-ylsulfanyl-propanamide CAS Name: N-[4-(1-piperidinylsulfonyl)phenyl]-2-(4-quinazolinylthio)propanamide IUPAC Name: N-(4-piperidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylpropanamide Traditional Name: N-(4-piperidinosulfonylphenyl)-2-(quinazolin-4-ylthio)propionamide Formula: C22H24N4O3S2 MolecularWeight: 456.58096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)SC3=NC=NC4=CC=CC=C43

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)SC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C22H24N4O3S2/c1-16(30-22-19-7-3-4-8-20(19)23-15-24-22)21(27)25-17-9-11-18(12-10-17)31(28,29)26-13-5-2-6-14-26/h3-4,7-12,15-16H,2,5-6,13-14H2,1H3,(H,25,27)