N-[4-[2-[7-chloranyl-3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoyl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[2-[7-chloranyl-3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoyl]phenyl]methanesulfonamide Openeye Name: N-[4-[2-[7-chloro-3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanylpropanoyl]phenyl]methanesulfonamide CAS Name: N-[4-[2-[[7-chloro-3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]thio]-1-oxopropyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylpropanoyl]phenyl]methanesulfonamide Traditional Name: N-[4-[2-[[7-chloro-4-keto-3-(2-methoxyethyl)quinazolin-2-yl]thio]propanoyl]phenyl]methanesulfonamide Formula: C21H22ClN3O5S2 MolecularWeight: 495.99948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)NS(=O)(=O)C)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCOC

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)NS(=O)(=O)C)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCOC

InChI

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