N-(4,6-dimethoxypyrimidin-2-yl)-1-(phenylsulfonyl)cyclopropane-1-carboxamide

Systemtic Name: N-(4,6-dimethoxypyrimidin-2-yl)-1-(phenylsulfonyl)cyclopropane-1-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-(4,6-dimethoxypyrimidin-2-yl)cyclopropanecarboxamide CAS Name: 1-(benzenesulfonyl)-N-(4,6-dimethoxy-2-pyrimidinyl)-1-cyclopropanecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(4,6-dimethoxypyrimidin-2-yl)cyclopropane-1-carboxamide Traditional Name: 1-besyl-N-(4,6-dimethoxypyrimidin-2-yl)cyclopropanecarboxamide Formula: C16H17N3O5S MolecularWeight: 363.38828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)C2(CC2)S(=O)(=O)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)C2(CC2)S(=O)(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C16H17N3O5S/c1-23-12-10-13(24-2)18-15(17-12)19-14(20)16(8-9-16)25(21,22)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,17,18,19,20)