N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(2-methylquinazolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(2-methylquinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]-2-(2-methylquinazolin-4-yl)sulfanyl-acetamide CAS Name: N-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-2-[(2-methyl-4-quinazolinyl)thio]acetamide IUPAC Name: N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide Traditional Name: N-(2-chloro-5-piperidinosulfonyl-phenyl)-2-[(2-methylquinazolin-4-yl)thio]acetamide Formula: C22H23ClN4O3S2 MolecularWeight: 491.02602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)Cl

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)Cl

InChI

InChI=1S/C22H23ClN4O3S2/c1-15-24-19-8-4-3-7-17(19)22(25-15)31-14-21(28)26-20-13-16(9-10-18(20)23)32(29,30)27-11-5-2-6-12-27/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,26,28)