(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(2-methylphenyl)-methylsulfonyl-amino]ethanoate

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(2-methylphenyl)-methylsulfonyl-amino]ethanoate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(2-methyl-N-methylsulfonyl-anilino)acetate CAS Name: 2-(2-methyl-N-methylsulfonylanilino)acetic 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 2-(2-methyl-N-methylsulfonylanilino)acetate Traditional Name: 2-(N-mesyl-2-methyl-anilino)acetic acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)COC(=O)CN(C3=CC=CC=C3C)S(=O)(=O)C)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)COC(=O)CN(C3=CC=CC=C3C)S(=O)(=O)C)C=C1

InChI

InChI=1S/C20H21N3O5S/c1-14-8-9-18-21-16(10-19(24)22(18)11-14)13-28-20(25)12-23(29(3,26)27)17-7-5-4-6-15(17)2/h4-11H,12-13H2,1-3H3