5-chloranyl-N-[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]-2-propylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]-2-propylsulfanyl-pyrimidine-4-carboxamide Openeye Name: N-[4-[benzyl(methyl)sulfamoyl]phenyl]-5-chloro-2-propylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]-2-(propylthio)-4-pyrimidinecarboxamide IUPAC Name: N-[4-[benzyl(methyl)sulfamoyl]phenyl]-5-chloro-2-propylsulfanylpyrimidine-4-carboxamide Traditional Name: N-[4-[benzyl(methyl)sulfamoyl]phenyl]-5-chloro-2-(propylthio)pyrimidine-4-carboxamide Formula: C22H23ClN4O3S2 MolecularWeight: 491.02602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N(C)CC3=CC=CC=C3)Cl

Isomeric SMILES

CCCSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N(C)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C22H23ClN4O3S2/c1-3-13-31-22-24-14-19(23)20(26-22)21(28)25-17-9-11-18(12-10-17)32(29,30)27(2)15-16-7-5-4-6-8-16/h4-12,14H,3,13,15H2,1-2H3,(H,25,28)