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

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-[4-[(4-methyl-2-pyrimidinyl)sulfamoyl]phenyl]butanamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]butyramide Formula: C22H21N5O4S2 MolecularWeight: 483.56324

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC(=N2)C)SC3=NC4=CC=CC=C4O3

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC(=N2)C)SC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C22H21N5O4S2/c1-3-19(32-22-26-17-6-4-5-7-18(17)31-22)20(28)25-15-8-10-16(11-9-15)33(29,30)27-21-23-13-12-14(2)24-21/h4-13,19H,3H2,1-2H3,(H,25,28)(H,23,24,27)