2-acetamido-3-(4-phenylsulfanylphenyl)sulfonyl-propanoic acid

Systemtic Name: 2-acetamido-3-(4-phenylsulfanylphenyl)sulfonyl-propanoic acid Openeye Name: 2-acetamido-3-(4-phenylsulfanylphenyl)sulfonyl-propanoic acid CAS Name: 2-acetamido-3-[4-(phenylthio)phenyl]sulfonylpropanoic acid IUPAC Name: 2-acetamido-3-(4-phenylsulfanylphenyl)sulfonylpropanoic acid Traditional Name: 2-acetamido-3-[4-(phenylthio)phenyl]sulfonyl-propionic acid Formula: C17H17NO5S2 MolecularWeight: 379.45058

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CS(=O)(=O)C1=CC=C(C=C1)SC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(=O)NC(CS(=O)(=O)C1=CC=C(C=C1)SC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H17NO5S2/c1-12(19)18-16(17(20)21)11-25(22,23)15-9-7-14(8-10-15)24-13-5-3-2-4-6-13/h2-10,16H,11H2,1H3,(H,18,19)(H,20,21)