2-[[4-[(4-cyanophenyl)carbonylamino]phenyl]sulfonylmethyl]-3-phenylsulfanyl-propanoic acid

Systemtic Name: 2-[[4-[(4-cyanophenyl)carbonylamino]phenyl]sulfonylmethyl]-3-phenylsulfanyl-propanoic acid Openeye Name: 2-[[4-[(4-cyanobenzoyl)amino]phenyl]sulfonylmethyl]-3-phenylsulfanyl-propanoic acid CAS Name: 2-[[4-[[(4-cyanophenyl)-oxomethyl]amino]phenyl]sulfonylmethyl]-3-(phenylthio)propanoic acid IUPAC Name: 2-[[4-[(4-cyanobenzoyl)amino]phenyl]sulfonylmethyl]-3-phenylsulfanylpropanoic acid Traditional Name: 2-[[4-[(4-cyanobenzoyl)amino]phenyl]sulfonylmethyl]-3-(phenylthio)propionic acid Formula: C24H20N2O5S2 MolecularWeight: 480.556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC(CS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C#N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SCC(CS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C#N)C(=O)O

InChI

InChI=1S/C24H20N2O5S2/c25-14-17-6-8-18(9-7-17)23(27)26-20-10-12-22(13-11-20)33(30,31)16-19(24(28)29)15-32-21-4-2-1-3-5-21/h1-13,19H,15-16H2,(H,26,27)(H,28,29)