4-(1,3-benzodioxol-5-yl)-2-[4-(2-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]pyrimidine

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-[4-(2-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]pyrimidine Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-[4-(2-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-yl]pyrimidine CAS Name: 4-(1,3-benzodioxol-5-yl)-2-[4-(2-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]pyrimidine IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-[4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyrimidine Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-[4-(2-chloro-4-fluoro-phenyl)sulfonylpiperazino]pyrimidine Formula: C21H18ClFN4O4S MolecularWeight: 476.908423

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC(=N2)C3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=C(C=C(C=C5)F)Cl

Isomeric SMILES

C1CN(CCN1C2=NC=CC(=N2)C3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=C(C=C(C=C5)F)Cl

InChI

InChI=1S/C21H18ClFN4O4S/c22-16-12-15(23)2-4-20(16)32(28,29)27-9-7-26(8-10-27)21-24-6-5-17(25-21)14-1-3-18-19(11-14)31-13-30-18/h1-6,11-12H,7-10,13H2