3-(1H-indol-3-yl)-2-[[4-(4-methylsulfanylphenyl)phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[[4-(4-methylsulfanylphenyl)phenyl]sulfonylamino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[[4-(4-methylsulfanylphenyl)phenyl]sulfonylamino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[4-[4-(methylthio)phenyl]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[[4-(4-methylsulfanylphenyl)phenyl]sulfonylamino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[[4-[4-(methylthio)phenyl]phenyl]sulfonylamino]propionic acid Formula: C24H22N2O4S2 MolecularWeight: 466.57248

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C24H22N2O4S2/c1-31-19-10-6-16(7-11-19)17-8-12-20(13-9-17)32(29,30)26-23(24(27)28)14-18-15-25-22-5-3-2-4-21(18)22/h2-13,15,23,25-26H,14H2,1H3,(H,27,28)