2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-[4-[(4-methyl-2-pyrimidinyl)sulfamoyl]phenyl]propanamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propionamide Formula: C21H19N5O4S2 MolecularWeight: 469.53666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C(C)SC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C(C)SC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H19N5O4S2/c1-13-11-12-22-20(23-13)26-32(28,29)16-9-7-15(8-10-16)24-19(27)14(2)31-21-25-17-5-3-4-6-18(17)30-21/h3-12,14H,1-2H3,(H,24,27)(H,22,23,26)