2-[2-oxidanylidene-3-[3-(8-phenyloctyl)phenyl]-1-sulfamoyl-butyl]sulfanylpropanoic acid

Systemtic Name: 2-[2-oxidanylidene-3-[3-(8-phenyloctyl)phenyl]-1-sulfamoyl-butyl]sulfanylpropanoic acid Openeye Name: 2-[2-oxo-3-[3-(8-phenyloctyl)phenyl]-1-sulfamoyl-butyl]sulfanylpropanoic acid CAS Name: 2-[[2-oxo-3-[3-(8-phenyloctyl)phenyl]-1-sulfamoylbutyl]thio]propanoic acid IUPAC Name: 2-[2-oxo-3-[3-(8-phenyloctyl)phenyl]-1-sulfamoylbutyl]sulfanylpropanoic acid Traditional Name: 2-[[2-keto-3-[3-(8-phenyloctyl)phenyl]-1-sulfamoyl-butyl]thio]propionic acid Formula: C27H37NO5S2 MolecularWeight: 519.71638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC(=C1)CCCCCCCCC2=CC=CC=C2)C(=O)C(SC(C)C(=O)O)S(=O)(=O)N

Isomeric SMILES

CC(C1=CC=CC(=C1)CCCCCCCCC2=CC=CC=C2)C(=O)C(SC(C)C(=O)O)S(=O)(=O)N

InChI

InChI=1S/C27H37NO5S2/c1-20(25(29)27(35(28,32)33)34-21(2)26(30)31)24-18-12-17-23(19-24)16-9-6-4-3-5-8-13-22-14-10-7-11-15-22/h7,10-12,14-15,17-21,27H,3-6,8-9,13,16H2,1-2H3,(H,30,31)(H2,28,32,33)