N1-[(1R)-1-(4-fluorophenyl)ethyl]-N3-[2-(hydroxymethyl)-1-oxidanyl-3-phenyl-propan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide

Systemtic Name: N1-[(1R)-1-(4-fluorophenyl)ethyl]-N3-[2-(hydroxymethyl)-1-oxidanyl-3-phenyl-propan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide Openeye Name: N3-[1-benzyl-2-hydroxy-1-(hydroxymethyl)ethyl]-N1-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide CAS Name: N1-[(1R)-1-(4-fluorophenyl)ethyl]-N3-[1-hydroxy-2-(hydroxymethyl)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide IUPAC Name: 3-N-(2-benzyl-1,3-dihydroxypropan-2-yl)-1-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide Traditional Name: N'-(1-benzyl-2-hydroxy-1-methylol-ethyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-[mesyl(methyl)amino]isophthalamide Formula: C28H32FN3O6S MolecularWeight: 557.633583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)F)NC(=O)C2=CC(=CC(=C2)N(C)S(=O)(=O)C)C(=O)NC(CC3=CC=CC=C3)(CO)CO

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)F)NC(=O)C2=CC(=CC(=C2)N(C)S(=O)(=O)C)C(=O)NC(CC3=CC=CC=C3)(CO)CO

InChI

InChI=1S/C28H32FN3O6S/c1-19(21-9-11-24(29)12-10-21)30-26(35)22-13-23(15-25(14-22)32(2)39(3,37)38)27(36)31-28(17-33,18-34)16-20-7-5-4-6-8-20/h4-15,19,33-34H,16-18H2,1-3H3,(H,30,35)(H,31,36)/t19-/m1/s1