(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid (4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid (4-ketopyrido[1,2-a]pyrimidin-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=C(C=CC(=C2)C(=O)OCC3=CC(=O)N4C=CC=CC4=N3)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC(=O)N4C=CC=CC4=N3)Cl

InChI

InChI=1S/C20H18ClN3O5S/c21-16-7-6-14(11-17(16)30(27,28)23-8-3-4-9-23)20(26)29-13-15-12-19(25)24-10-2-1-5-18(24)22-15/h1-2,5-7,10-12H,3-4,8-9,13H2