3-[(phenylmethyl)-(phenylsulfonyl)amino]propanoic acid

Systemtic Name: 3-[(phenylmethyl)-(phenylsulfonyl)amino]propanoic acid Openeye Name: 3-[benzenesulfonyl(benzyl)amino]propanoic acid CAS Name: 3-[benzenesulfonyl-(phenylmethyl)amino]propanoic acid IUPAC Name: 3-[benzenesulfonyl(benzyl)amino]propanoic acid Traditional Name: 3-[benzyl(besyl)amino]propionic acid Formula: C16H17NO4S MolecularWeight: 319.37548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCC(=O)O)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CN(CCC(=O)O)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H17NO4S/c18-16(19)11-12-17(13-14-7-3-1-4-8-14)22(20,21)15-9-5-2-6-10-15/h1-10H,11-13H2,(H,18,19)