3-phenyl-2-[[4-(sulfomethyl)phenyl]amino]propanoic acid

Systemtic Name: 3-phenyl-2-[[4-(sulfomethyl)phenyl]amino]propanoic acid Openeye Name: 3-phenyl-2-[4-(sulfomethyl)anilino]propanoic acid CAS Name: 3-phenyl-2-[4-(sulfomethyl)anilino]propanoic acid IUPAC Name: 3-phenyl-2-[4-(sulfomethyl)anilino]propanoic acid Traditional Name: 3-phenyl-2-[4-(sulfomethyl)anilino]propionic acid Formula: C16H17NO5S MolecularWeight: 335.37488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC2=CC=C(C=C2)CS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC2=CC=C(C=C2)CS(=O)(=O)O

InChI

InChI=1S/C16H17NO5S/c18-16(19)15(10-12-4-2-1-3-5-12)17-14-8-6-13(7-9-14)11-23(20,21)22/h1-9,15,17H,10-11H2,(H,18,19)(H,20,21,22)