2-[6-[(4-methylphenyl)sulfonylamino]-5-[(E)-prop-1-enyl]pyrimidin-4-yl]oxyethyl ethanoate

Systemtic Name: 2-[6-[(4-methylphenyl)sulfonylamino]-5-[(E)-prop-1-enyl]pyrimidin-4-yl]oxyethyl ethanoate Openeye Name: 2-[5-[(E)-prop-1-enyl]-6-(p-tolylsulfonylamino)pyrimidin-4-yl]oxyethyl acetate CAS Name: acetic acid 2-[[6-[(4-methylphenyl)sulfonylamino]-5-[(E)-prop-1-enyl]-4-pyrimidinyl]oxy]ethyl ester IUPAC Name: 2-[6-[(4-methylphenyl)sulfonylamino]-5-[(E)-prop-1-enyl]pyrimidin-4-yl]oxyethyl acetate Traditional Name: acetic acid 2-[5-[(E)-prop-1-enyl]-6-(tosylamino)pyrimidin-4-yl]oxyethyl ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=C(N=CN=C1OCCOC(=O)C)NS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

C/C=C/C1=C(N=CN=C1OCCOC(=O)C)NS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C18H21N3O5S/c1-4-5-16-17(19-12-20-18(16)26-11-10-25-14(3)22)21-27(23,24)15-8-6-13(2)7-9-15/h4-9,12H,10-11H2,1-3H3,(H,19,20,21)/b5-4+