(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-piperidinosulfonyl-benzoic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C21H19Cl2N3O5S MolecularWeight: 496.36366

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C21H19Cl2N3O5S/c22-13-4-6-15-18(10-13)24-19(25-20(15)27)12-31-21(28)16-11-14(5-7-17(16)23)32(29,30)26-8-2-1-3-9-26/h4-7,10-11H,1-3,8-9,12H2,(H,24,25,27)