2-(6-methylpyrimidin-4-yl)sulfanyl-N-[4-[(phenylmethyl)sulfamoyl]phenyl]propanamide

Systemtic Name: 2-(6-methylpyrimidin-4-yl)sulfanyl-N-[4-[(phenylmethyl)sulfamoyl]phenyl]propanamide Openeye Name: N-[4-(benzylsulfamoyl)phenyl]-2-(6-methylpyrimidin-4-yl)sulfanyl-propanamide CAS Name: 2-[(6-methyl-4-pyrimidinyl)thio]-N-[4-[(phenylmethyl)sulfamoyl]phenyl]propanamide IUPAC Name: N-[4-(benzylsulfamoyl)phenyl]-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-[4-(benzylsulfamoyl)phenyl]-2-[(6-methylpyrimidin-4-yl)thio]propionamide Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=N1)SC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NC=N1)SC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O3S2/c1-15-12-20(23-14-22-15)29-16(2)21(26)25-18-8-10-19(11-9-18)30(27,28)24-13-17-6-4-3-5-7-17/h3-12,14,16,24H,13H2,1-2H3,(H,25,26)