4-[[(3-methylphenyl)-methylsulfonyl-amino]methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide

Systemtic Name: 4-[[(3-methylphenyl)-methylsulfonyl-amino]methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide Openeye Name: 4-[(3-methyl-N-methylsulfonyl-anilino)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide CAS Name: 4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[4-(2-pyrimidinylsulfamoyl)phenyl]benzamide IUPAC Name: 4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide Traditional Name: 4-[(N-mesyl-3-methyl-anilino)methyl]-N-[4-(2-pyrimidylsulfamoyl)phenyl]benzamide Formula: C26H25N5O5S2 MolecularWeight: 551.6372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)N(CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4)S(=O)(=O)C

InChI

InChI=1S/C26H25N5O5S2/c1-19-5-3-6-23(17-19)31(37(2,33)34)18-20-7-9-21(10-8-20)25(32)29-22-11-13-24(14-12-22)38(35,36)30-26-27-15-4-16-28-26/h3-17H,18H2,1-2H3,(H,29,32)(H,27,28,30)