(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 3-piperidin-1-ylsulfonylbenzoate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(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 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C21H20ClN3O5S MolecularWeight: 461.9186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O5S/c22-15-7-8-17-18(12-15)23-19(24-20(17)26)13-30-21(27)14-5-4-6-16(11-14)31(28,29)25-9-2-1-3-10-25/h4-8,11-12H,1-3,9-10,13H2,(H,23,24,26)