(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(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-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C20H18ClN3O5S MolecularWeight: 447.89202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O5S/c21-14-5-8-16-17(11-14)22-18(23-19(16)25)12-29-20(26)13-3-6-15(7-4-13)30(27,28)24-9-1-2-10-24/h3-8,11H,1-2,9-10,12H2,(H,22,23,25)