2-[(4-benzamidophenyl)sulfonylmethyl]-3-phenylsulfanyl-propanoic acid

Systemtic Name: 2-[(4-benzamidophenyl)sulfonylmethyl]-3-phenylsulfanyl-propanoic acid Openeye Name: 2-[(4-benzamidophenyl)sulfonylmethyl]-3-phenylsulfanyl-propanoic acid CAS Name: 2-[(4-benzamidophenyl)sulfonylmethyl]-3-(phenylthio)propanoic acid IUPAC Name: 2-[(4-benzamidophenyl)sulfonylmethyl]-3-phenylsulfanylpropanoic acid Traditional Name: 2-[(4-benzamidophenyl)sulfonylmethyl]-3-(phenylthio)propionic acid Formula: C23H21NO5S2 MolecularWeight: 455.54654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=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/C23H21NO5S2/c25-22(17-7-3-1-4-8-17)24-19-11-13-21(14-12-19)31(28,29)16-18(23(26)27)15-30-20-9-5-2-6-10-20/h1-14,18H,15-16H2,(H,24,25)(H,26,27)