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

Systemtic Name: N-[4-[(2R)-2-(7-chloranyl-4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylpropanoyl]phenyl]methanesulfonamide Openeye Name: N-[4-[(2R)-2-(7-chloro-3-isopropyl-4-oxo-quinazolin-2-yl)sulfanylpropanoyl]phenyl]methanesulfonamide CAS Name: N-[4-[(2R)-2-[(7-chloro-4-oxo-3-propan-2-yl-2-quinazolinyl)thio]-1-oxopropyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[(2R)-2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanoyl]phenyl]methanesulfonamide Traditional Name: N-[4-[(2R)-2-[(7-chloro-3-isopropyl-4-keto-quinazolin-2-yl)thio]propanoyl]phenyl]methanesulfonamide Formula: C21H22ClN3O4S2 MolecularWeight: 480.00008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C

Isomeric SMILES

C[C@H](C(=O)C1=CC=C(C=C1)NS(=O)(=O)C)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C(C)C

InChI

InChI=1S/C21H22ClN3O4S2/c1-12(2)25-20(27)17-10-7-15(22)11-18(17)23-21(25)30-13(3)19(26)14-5-8-16(9-6-14)24-31(4,28)29/h5-13,24H,1-4H3/t13-/m1/s1