3-[3-(3-oxidanylidene-4-sulfamoyl-butyl)-2-(8-phenyloctyl)phenyl]sulfanylpropanoic acid

Systemtic Name: 3-[3-(3-oxidanylidene-4-sulfamoyl-butyl)-2-(8-phenyloctyl)phenyl]sulfanylpropanoic acid Openeye Name: 3-[3-(3-oxo-4-sulfamoyl-butyl)-2-(8-phenyloctyl)phenyl]sulfanylpropanoic acid CAS Name: 3-[[3-(3-oxo-4-sulfamoylbutyl)-2-(8-phenyloctyl)phenyl]thio]propanoic acid IUPAC Name: 3-[3-(3-oxo-4-sulfamoylbutyl)-2-(8-phenyloctyl)phenyl]sulfanylpropanoic acid Traditional Name: 3-[[3-(3-keto-4-sulfamoyl-butyl)-2-(8-phenyloctyl)phenyl]thio]propionic acid Formula: C27H37NO5S2 MolecularWeight: 519.71638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCC2=C(C=CC=C2SCCC(=O)O)CCC(=O)CS(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCC2=C(C=CC=C2SCCC(=O)O)CCC(=O)CS(=O)(=O)N

InChI

InChI=1S/C27H37NO5S2/c28-35(32,33)21-24(29)18-17-23-14-10-16-26(34-20-19-27(30)31)25(23)15-9-4-2-1-3-6-11-22-12-7-5-8-13-22/h5,7-8,10,12-14,16H,1-4,6,9,11,15,17-21H2,(H,30,31)(H2,28,32,33)