4-[4-[4-(methylcarbamoylamino)phenyl]sulfanylphenyl]sulfonyl-3-phenyl-butanoic acid

Systemtic Name: 4-[4-[4-(methylcarbamoylamino)phenyl]sulfanylphenyl]sulfonyl-3-phenyl-butanoic acid Openeye Name: 4-[4-[4-(methylcarbamoylamino)phenyl]sulfanylphenyl]sulfonyl-3-phenyl-butanoic acid CAS Name: 4-[4-[[4-(methylcarbamoylamino)phenyl]thio]phenyl]sulfonyl-3-phenylbutanoic acid IUPAC Name: 4-[4-[4-(methylcarbamoylamino)phenyl]sulfanylphenyl]sulfonyl-3-phenylbutanoic acid Traditional Name: 4-[4-[[4-(methylcarbamoylamino)phenyl]thio]phenyl]sulfonyl-3-phenyl-butyric acid Formula: C24H24N2O5S2 MolecularWeight: 484.58776

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC1=CC=C(C=C1)SC2=CC=C(C=C2)S(=O)(=O)CC(CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CNC(=O)NC1=CC=C(C=C1)SC2=CC=C(C=C2)S(=O)(=O)CC(CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C24H24N2O5S2/c1-25-24(29)26-19-7-9-20(10-8-19)32-21-11-13-22(14-12-21)33(30,31)16-18(15-23(27)28)17-5-3-2-4-6-17/h2-14,18H,15-16H2,1H3,(H,27,28)(H2,25,26,29)