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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-chloranyl-2-(phenylmethyl)sulfonyl-pyrimidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-benzylsulfonyl-5-chloro-pyrimidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-2-(phenylmethyl)sulfonyl-4-pyrimidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-benzylsulfonyl-5-chloropyrimidine-4-carboxamide Traditional Name: 2-benzylsulfonyl-5-chloro-N-piperonyl-pyrimidine-4-carboxamide Formula: C20H16ClN3O5S MolecularWeight: 445.87614

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=NC(=NC=C3Cl)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=NC(=NC=C3Cl)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H16ClN3O5S/c21-15-10-23-20(30(26,27)11-13-4-2-1-3-5-13)24-18(15)19(25)22-9-14-6-7-16-17(8-14)29-12-28-16/h1-8,10H,9,11-12H2,(H,22,25)