3-[2-[(3-methyl-1-phenyl-butyl)sulfamoyl]-4-(phenoxymethyl)phenyl]propanoic acid

Systemtic Name: 3-[2-[(3-methyl-1-phenyl-butyl)sulfamoyl]-4-(phenoxymethyl)phenyl]propanoic acid Openeye Name: 3-[2-[(3-methyl-1-phenyl-butyl)sulfamoyl]-4-(phenoxymethyl)phenyl]propanoic acid CAS Name: 3-[2-[(3-methyl-1-phenylbutyl)sulfamoyl]-4-(phenoxymethyl)phenyl]propanoic acid IUPAC Name: 3-[2-[(3-methyl-1-phenylbutyl)sulfamoyl]-4-(phenoxymethyl)phenyl]propanoic acid Traditional Name: 3-[2-[(3-methyl-1-phenyl-butyl)sulfamoyl]-4-(phenoxymethyl)phenyl]propionic acid Formula: C27H31NO5S MolecularWeight: 481.60374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)COC3=CC=CC=C3)CCC(=O)O

Isomeric SMILES

CC(C)CC(C1=CC=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)COC3=CC=CC=C3)CCC(=O)O

InChI

InChI=1S/C27H31NO5S/c1-20(2)17-25(22-9-5-3-6-10-22)28-34(31,32)26-18-21(13-14-23(26)15-16-27(29)30)19-33-24-11-7-4-8-12-24/h3-14,18,20,25,28H,15-17,19H2,1-2H3,(H,29,30)