methylbenzene; methyl 2-[(4-methoxy-6-methyl-pyrimidin-2-yl)-methylsulfonyl-amino]ethanoate

Systemtic Name: methylbenzene; methyl 2-[(4-methoxy-6-methyl-pyrimidin-2-yl)-methylsulfonyl-amino]ethanoate Openeye Name: methyl 2-[(4-methoxy-6-methyl-pyrimidin-2-yl)-methylsulfonyl-amino]acetate; toluene CAS Name: 2-[(4-methoxy-6-methyl-2-pyrimidinyl)-methylsulfonylamino]acetic acid methyl ester; toluene IUPAC Name: methyl 2-[(4-methoxy-6-methylpyrimidin-2-yl)-methylsulfonylamino]acetate; toluene Traditional Name: 2-[mesyl-(4-methoxy-6-methyl-pyrimidin-2-yl)amino]acetic acid methyl ester; toluene Formula: C17H23N3O5S MolecularWeight: 381.44662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.CC1=CC(=NC(=N1)N(CC(=O)OC)S(=O)(=O)C)OC

Isomeric SMILES

CC1=CC=CC=C1.CC1=CC(=NC(=N1)N(CC(=O)OC)S(=O)(=O)C)OC

InChI

InChI=1S/C10H15N3O5S.C7H8/c1-7-5-8(17-2)12-10(11-7)13(19(4,15)16)6-9(14)18-3;1-7-5-3-2-4-6-7/h5H,6H2,1-4H3;2-6H,1H3