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

Systemtic Name: 2-[[4-[(4-chlorophenyl)carbonylamino]phenyl]sulfonylmethyl]-3-phenylsulfanyl-propanoic acid Openeye Name: 2-[[4-[(4-chlorobenzoyl)amino]phenyl]sulfonylmethyl]-3-phenylsulfanyl-propanoic acid CAS Name: 2-[[4-[[(4-chlorophenyl)-oxomethyl]amino]phenyl]sulfonylmethyl]-3-(phenylthio)propanoic acid IUPAC Name: 2-[[4-[(4-chlorobenzoyl)amino]phenyl]sulfonylmethyl]-3-phenylsulfanylpropanoic acid Traditional Name: 2-[[4-[(4-chlorobenzoyl)amino]phenyl]sulfonylmethyl]-3-(phenylthio)propionic acid Formula: C23H20ClNO5S2 MolecularWeight: 489.9916

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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)Cl)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)Cl)C(=O)O

InChI

InChI=1S/C23H20ClNO5S2/c24-18-8-6-16(7-9-18)22(26)25-19-10-12-21(13-11-19)32(29,30)15-17(23(27)28)14-31-20-4-2-1-3-5-20/h1-13,17H,14-15H2,(H,25,26)(H,27,28)