3-[(3-methylsulfonylphenyl)carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 3-[(3-methylsulfonylphenyl)carbonylamino]-3-phenyl-propanoic acid Openeye Name: 3-[(3-methylsulfonylbenzoyl)amino]-3-phenyl-propanoic acid CAS Name: 3-[[(3-methylsulfonylphenyl)-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[(3-methylsulfonylbenzoyl)amino]-3-phenylpropanoic acid Traditional Name: 3-[(3-mesylbenzoyl)amino]-3-phenyl-propionic acid Formula: C17H17NO5S MolecularWeight: 347.38558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO5S/c1-24(22,23)14-9-5-8-13(10-14)17(21)18-15(11-16(19)20)12-6-3-2-4-7-12/h2-10,15H,11H2,1H3,(H,18,21)(H,19,20)