3-iodanyl-N1-[2-methyl-4-[1,1,1,3,3-pentakis(fluoranyl)propan-2-yl]phenyl]-N2-[(2S)-1-methylsulfonylpropan-2-yl]benzene-1,2-dicarboxamide

Systemtic Name: 3-iodanyl-N1-[2-methyl-4-[1,1,1,3,3-pentakis(fluoranyl)propan-2-yl]phenyl]-N2-[(2S)-1-methylsulfonylpropan-2-yl]benzene-1,2-dicarboxamide Openeye Name: N1-[4-[1-(difluoromethyl)-2,2,2-trifluoro-ethyl]-2-methyl-phenyl]-3-iodo-N2-[(1S)-1-methyl-2-methylsulfonyl-ethyl]phthalamide CAS Name: 3-iodo-N1-[2-methyl-4-(1,1,1,3,3-pentafluoropropan-2-yl)phenyl]-N2-[(2S)-1-methylsulfonylpropan-2-yl]benzene-1,2-dicarboxamide IUPAC Name: 3-iodo-1-N-[2-methyl-4-(1,1,1,3,3-pentafluoropropan-2-yl)phenyl]-2-N-[(2S)-1-methylsulfonylpropan-2-yl]benzene-1,2-dicarboxamide Traditional Name: N-[4-[1-(difluoromethyl)-2,2,2-trifluoro-ethyl]-2-methyl-phenyl]-3-iodo-N'-[(1S)-2-mesyl-1-methyl-ethyl]phthalamide Formula: C22H22F5IN2O4S MolecularWeight: 632.382566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C(F)F)C(F)(F)F)NC(=O)C2=C(C(=CC=C2)I)C(=O)NC(C)CS(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(C(F)F)C(F)(F)F)NC(=O)C2=C(C(=CC=C2)I)C(=O)N[C@@H](C)CS(=O)(=O)C

InChI

InChI=1S/C22H22F5IN2O4S/c1-11-9-13(18(19(23)24)22(25,26)27)7-8-16(11)30-20(31)14-5-4-6-15(28)17(14)21(32)29-12(2)10-35(3,33)34/h4-9,12,18-19H,10H2,1-3H3,(H,29,32)(H,30,31)/t12-,18?/m0/s1