(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C20H17Cl2N3O5S MolecularWeight: 482.33708

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)Cl

InChI

InChI=1S/C20H17Cl2N3O5S/c21-13-4-5-14-16(10-13)23-18(24-19(14)26)11-30-20(27)12-3-6-15(22)17(9-12)31(28,29)25-7-1-2-8-25/h3-6,9-10H,1-2,7-8,11H2,(H,23,24,26)