3-(4-hydroxyphenyl)-2-[(3-methylsulfonylphenyl)carbonylamino]propanoic acid

Systemtic Name: 3-(4-hydroxyphenyl)-2-[(3-methylsulfonylphenyl)carbonylamino]propanoic acid Openeye Name: 3-(4-hydroxyphenyl)-2-[(3-methylsulfonylbenzoyl)amino]propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-[[(3-methylsulfonylphenyl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-(4-hydroxyphenyl)-2-[(3-methylsulfonylbenzoyl)amino]propanoic acid Traditional Name: 3-(4-hydroxyphenyl)-2-[(3-mesylbenzoyl)amino]propionic acid Formula: C17H17NO6S MolecularWeight: 363.38498

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O

InChI

InChI=1S/C17H17NO6S/c1-25(23,24)14-4-2-3-12(10-14)16(20)18-15(17(21)22)9-11-5-7-13(19)8-6-11/h2-8,10,15,19H,9H2,1H3,(H,18,20)(H,21,22)