(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: 1-(4-chlorophenyl)sulfonyl-2-pyrrolidinecarboxylic acid (7-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C21H20ClN3O5S MolecularWeight: 461.9186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)COC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)Cl)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)COC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)Cl)C=C1

InChI

InChI=1S/C21H20ClN3O5S/c1-14-4-9-19-23-16(11-20(26)24(19)12-14)13-30-21(27)18-3-2-10-25(18)31(28,29)17-7-5-15(22)6-8-17/h4-9,11-12,18H,2-3,10,13H2,1H3