N-[3-[[(6-azanylpyrimidin-4-yl)-[2-(4-sulfamoylphenyl)ethyl]carbamoyl]amino]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide

Systemtic Name: N-[3-[[(6-azanylpyrimidin-4-yl)-[2-(4-sulfamoylphenyl)ethyl]carbamoyl]amino]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide Openeye Name: N-[3-[[(6-aminopyrimidin-4-yl)-[2-(4-sulfamoylphenyl)ethyl]carbamoyl]amino]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide CAS Name: N-[3-[[[(6-amino-4-pyrimidinyl)-[2-(4-sulfamoylphenyl)ethyl]amino]-oxomethyl]amino]-4-methylphenyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[3-[[(6-aminopyrimidin-4-yl)-[2-(4-sulfamoylphenyl)ethyl]carbamoyl]amino]-4-methylphenyl]-3-(trifluoromethyl)benzamide Traditional Name: N-[3-[[(6-aminopyrimidin-4-yl)-[2-(4-sulfamoylphenyl)ethyl]carbamoyl]amino]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide Formula: C28H26F3N7O4S MolecularWeight: 613.61075

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)NC(=O)N(CCC3=CC=C(C=C3)S(=O)(=O)N)C4=NC=NC(=C4)N

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)NC(=O)N(CCC3=CC=C(C=C3)S(=O)(=O)N)C4=NC=NC(=C4)N

InChI

InChI=1S/C28H26F3N7O4S/c1-17-5-8-21(36-26(39)19-3-2-4-20(13-19)28(29,30)31)14-23(17)37-27(40)38(25-15-24(32)34-16-35-25)12-11-18-6-9-22(10-7-18)43(33,41)42/h2-10,13-16H,11-12H2,1H3,(H,36,39)(H,37,40)(H2,32,34,35)(H2,33,41,42)