phenyl 2-(6-propylsulfonylpyrimidin-4-yl)propanoate

Systemtic Name: phenyl 2-(6-propylsulfonylpyrimidin-4-yl)propanoate Openeye Name: phenyl 2-(6-propylsulfonylpyrimidin-4-yl)propanoate CAS Name: 2-(6-propylsulfonyl-4-pyrimidinyl)propanoic acid phenyl ester IUPAC Name: phenyl 2-(6-propylsulfonylpyrimidin-4-yl)propanoate Traditional Name: 2-(6-propylsulfonylpyrimidin-4-yl)propionic acid phenyl ester Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=NC=NC(=C1)C(C)C(=O)OC2=CC=CC=C2

Isomeric SMILES

CCCS(=O)(=O)C1=NC=NC(=C1)C(C)C(=O)OC2=CC=CC=C2

InChI

InChI=1S/C16H18N2O4S/c1-3-9-23(20,21)15-10-14(17-11-18-15)12(2)16(19)22-13-7-5-4-6-8-13/h4-8,10-12H,3,9H2,1-2H3