5-chloranyl-2-[(4-fluorophenyl)methylsulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-[(4-fluorophenyl)methylsulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-[(4-fluorophenyl)methylsulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-[(4-fluorophenyl)methylthio]-N-[2-(4-sulfamoylphenyl)ethyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-[(4-fluorophenyl)methylsulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-[(4-fluorobenzyl)thio]-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide Formula: C20H18ClFN4O3S2 MolecularWeight: 480.963323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=O)C2=NC(=NC=C2Cl)SCC3=CC=C(C=C3)F)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CCNC(=O)C2=NC(=NC=C2Cl)SCC3=CC=C(C=C3)F)S(=O)(=O)N

InChI

InChI=1S/C20H18ClFN4O3S2/c21-17-11-25-20(30-12-14-1-5-15(22)6-2-14)26-18(17)19(27)24-10-9-13-3-7-16(8-4-13)31(23,28)29/h1-8,11H,9-10,12H2,(H,24,27)(H2,23,28,29)