3-(4-oxidanylidene-1H-quinazolin-2-yl)-N-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)propanamide

Systemtic Name: 3-(4-oxidanylidene-1H-quinazolin-2-yl)-N-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)propanamide Openeye Name: N-(2-hydroxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-3-(4-oxo-1H-quinazolin-2-yl)propanamide CAS Name: N-[2-hydroxy-5-(1-pyrrolidinylsulfonyl)phenyl]-3-(4-oxo-1H-quinazolin-2-yl)propanamide IUPAC Name: N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(4-oxo-1H-quinazolin-2-yl)propanamide Traditional Name: N-(2-hydroxy-5-pyrrolidinosulfonyl-phenyl)-3-(4-keto-1H-quinazolin-2-yl)propionamide Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)NC(=O)CCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)NC(=O)CCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H22N4O5S/c26-18-8-7-14(31(29,30)25-11-3-4-12-25)13-17(18)23-20(27)10-9-19-22-16-6-2-1-5-15(16)21(28)24-19/h1-2,5-8,13,26H,3-4,9-12H2,(H,23,27)(H,22,24,28)