3-[2-[(3-methyl-1-phenyl-butyl)carbamoyl]-4-methylsulfonyloxy-phenyl]propanoic acid

Systemtic Name: 3-[2-[(3-methyl-1-phenyl-butyl)carbamoyl]-4-methylsulfonyloxy-phenyl]propanoic acid Openeye Name: 3-[2-[(3-methyl-1-phenyl-butyl)carbamoyl]-4-methylsulfonyloxy-phenyl]propanoic acid CAS Name: 3-[2-[[(3-methyl-1-phenylbutyl)amino]-oxomethyl]-4-methylsulfonyloxyphenyl]propanoic acid IUPAC Name: 3-[2-[(3-methyl-1-phenylbutyl)carbamoyl]-4-methylsulfonyloxyphenyl]propanoic acid Traditional Name: 3-[2-[(3-methyl-1-phenyl-butyl)carbamoyl]-4-methylsulfonyloxy-phenyl]propionic acid Formula: C22H27NO6S MolecularWeight: 433.51788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)OS(=O)(=O)C)CCC(=O)O

Isomeric SMILES

CC(C)CC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)OS(=O)(=O)C)CCC(=O)O

InChI

InChI=1S/C22H27NO6S/c1-15(2)13-20(17-7-5-4-6-8-17)23-22(26)19-14-18(29-30(3,27)28)11-9-16(19)10-12-21(24)25/h4-9,11,14-15,20H,10,12-13H2,1-3H3,(H,23,26)(H,24,25)