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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-chloranyl-2-propylsulfonyl-pyrimidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-2-propylsulfonyl-pyrimidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-2-propylsulfonyl-4-pyrimidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-2-propylsulfonylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-piperonyl-2-propylsulfonyl-pyrimidine-4-carboxamide Formula: C16H16ClN3O5S MolecularWeight: 397.83334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN3O5S/c1-2-5-26(22,23)16-19-8-11(17)14(20-16)15(21)18-7-10-3-4-12-13(6-10)25-9-24-12/h3-4,6,8H,2,5,7,9H2,1H3,(H,18,21)