N-(2-chloranyl-5-methylsulfonyl-phenyl)-2-[3-[(2S)-1-methoxypropan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-chloranyl-5-methylsulfonyl-phenyl)-2-[3-[(2S)-1-methoxypropan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-chloro-5-methylsulfonyl-phenyl)-2-[3-[(1S)-2-methoxy-1-methyl-ethyl]-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-chloro-5-methylsulfonylphenyl)-2-[[3-[(2S)-1-methoxypropan-2-yl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-chloro-5-methylsulfonylphenyl)-2-[3-[(2S)-1-methoxypropan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-chloro-5-mesyl-phenyl)-2-[[4-keto-3-[(1S)-2-methoxy-1-methyl-ethyl]quinazolin-2-yl]thio]acetamide Formula: C21H22ClN3O5S2 MolecularWeight: 495.99948

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)C)Cl

Isomeric SMILES

C[C@@H](COC)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C21H22ClN3O5S2/c1-13(11-30-2)25-20(27)15-6-4-5-7-17(15)24-21(25)31-12-19(26)23-18-10-14(32(3,28)29)8-9-16(18)22/h4-10,13H,11-12H2,1-3H3,(H,23,26)/t13-/m0/s1