methyl 2-[(5-bromanyl-4-methoxy-6-methyl-pyrimidin-2-yl)-(4-methylphenyl)sulfonyl-amino]ethanoate

Systemtic Name: methyl 2-[(5-bromanyl-4-methoxy-6-methyl-pyrimidin-2-yl)-(4-methylphenyl)sulfonyl-amino]ethanoate Openeye Name: methyl 2-[(5-bromo-4-methoxy-6-methyl-pyrimidin-2-yl)-(p-tolylsulfonyl)amino]acetate CAS Name: 2-[(5-bromo-4-methoxy-6-methyl-2-pyrimidinyl)-(4-methylphenyl)sulfonylamino]acetic acid methyl ester IUPAC Name: methyl 2-[(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)-(4-methylphenyl)sulfonylamino]acetate Traditional Name: 2-[(5-bromo-4-methoxy-6-methyl-pyrimidin-2-yl)-tosyl-amino]acetic acid methyl ester Formula: C16H18BrN3O5S MolecularWeight: 444.30022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)OC)C2=NC(=C(C(=N2)OC)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)OC)C2=NC(=C(C(=N2)OC)Br)C

InChI

InChI=1S/C16H18BrN3O5S/c1-10-5-7-12(8-6-10)26(22,23)20(9-13(21)24-3)16-18-11(2)14(17)15(19-16)25-4/h5-8H,9H2,1-4H3