N-(1,3-benzodioxol-5-ylmethyl)-5-chloranyl-2-ethylsulfonyl-pyrimidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-chloranyl-2-ethylsulfonyl-pyrimidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-2-ethylsulfonyl-pyrimidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-2-ethylsulfonyl-4-pyrimidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-2-ethylsulfonylpyrimidine-4-carboxamide Traditional Name: 5-chloro-2-esyl-N-piperonyl-pyrimidine-4-carboxamide Formula: C15H14ClN3O5S MolecularWeight: 383.80676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NCC2=CC3=C(C=C2)OCO3)Cl

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NCC2=CC3=C(C=C2)OCO3)Cl

InChI

InChI=1S/C15H14ClN3O5S/c1-2-25(21,22)15-18-7-10(16)13(19-15)14(20)17-6-9-3-4-11-12(5-9)24-8-23-11/h3-5,7H,2,6,8H2,1H3,(H,17,20)