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

Systemtic Name: 2-[[4-[(4-methylphenyl)carbonylamino]phenyl]sulfonylmethyl]-3-phenylsulfanyl-propanoic acid Openeye Name: 2-[[4-[(4-methylbenzoyl)amino]phenyl]sulfonylmethyl]-3-phenylsulfanyl-propanoic acid CAS Name: 2-[[4-[[(4-methylphenyl)-oxomethyl]amino]phenyl]sulfonylmethyl]-3-(phenylthio)propanoic acid IUPAC Name: 2-[[4-[(4-methylbenzoyl)amino]phenyl]sulfonylmethyl]-3-phenylsulfanylpropanoic acid Traditional Name: 2-[(phenylthio)methyl]-3-[4-(p-toluoylamino)phenyl]sulfonyl-propionic acid Formula: C24H23NO5S2 MolecularWeight: 469.57312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)CC(CSC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)CC(CSC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C24H23NO5S2/c1-17-7-9-18(10-8-17)23(26)25-20-11-13-22(14-12-20)32(29,30)16-19(24(27)28)15-31-21-5-3-2-4-6-21/h2-14,19H,15-16H2,1H3,(H,25,26)(H,27,28)