(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(4-bromophenyl)sulfonylamino]ethanoate

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(4-bromophenyl)sulfonylamino]ethanoate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(4-bromophenyl)sulfonylamino]acetate CAS Name: 2-[(4-bromophenyl)sulfonylamino]acetic acid (7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(4-bromophenyl)sulfonylamino]acetate Traditional Name: 2-(brosylamino)acetic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C17H13Br2N3O5S MolecularWeight: 531.17522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1S(=O)(=O)NCC(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br)Br

Isomeric SMILES

C1=CC(=CC=C1S(=O)(=O)NCC(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br)Br

InChI

InChI=1S/C17H13Br2N3O5S/c18-11-1-4-14(5-2-11)28(25,26)20-8-17(24)27-10-13-7-16(23)22-9-12(19)3-6-15(22)21-13/h1-7,9,20H,8,10H2