N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-(3-methyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-2-[(3-methyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(2-chloro-5-pyrrolidinosulfonyl-phenyl)-2-[(4-keto-3-methyl-quinazolin-2-yl)thio]acetamide Formula: C21H21ClN4O4S2 MolecularWeight: 492.99884

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)Cl

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)Cl

InChI

InChI=1S/C21H21ClN4O4S2/c1-25-20(28)15-6-2-3-7-17(15)24-21(25)31-13-19(27)23-18-12-14(8-9-16(18)22)32(29,30)26-10-4-5-11-26/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H,23,27)