4-[[(3-methylphenyl)-methylsulfonyl-amino]methyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide

Systemtic Name: 4-[[(3-methylphenyl)-methylsulfonyl-amino]methyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide Openeye Name: 4-[(3-methyl-N-methylsulfonyl-anilino)methyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide CAS Name: 4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[4-[(4-methyl-2-pyrimidinyl)sulfamoyl]phenyl]benzamide IUPAC Name: 4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide Traditional Name: 4-[(N-mesyl-3-methyl-anilino)methyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide Formula: C27H27N5O5S2 MolecularWeight: 565.66378

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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)C)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)C)S(=O)(=O)C

InChI

InChI=1S/C27H27N5O5S2/c1-19-5-4-6-24(17-19)32(38(3,34)35)18-21-7-9-22(10-8-21)26(33)30-23-11-13-25(14-12-23)39(36,37)31-27-28-16-15-20(2)29-27/h4-17H,18H2,1-3H3,(H,30,33)(H,28,29,31)