3-[2-[[phenyl(phenylsulfonyl)amino]methyl]phenyl]propanoic acid

Systemtic Name: 3-[2-[[phenyl(phenylsulfonyl)amino]methyl]phenyl]propanoic acid Openeye Name: 3-[2-[[N-(benzenesulfonyl)anilino]methyl]phenyl]propanoic acid CAS Name: 3-[2-[[N-(benzenesulfonyl)anilino]methyl]phenyl]propanoic acid IUPAC Name: 3-[2-[[N-(benzenesulfonyl)anilino]methyl]phenyl]propanoic acid Traditional Name: 3-[2-[(N-besylanilino)methyl]phenyl]propionic acid Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CC2=CC=CC=C2CCC(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)N(CC2=CC=CC=C2CCC(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H21NO4S/c24-22(25)16-15-18-9-7-8-10-19(18)17-23(20-11-3-1-4-12-20)28(26,27)21-13-5-2-6-14-21/h1-14H,15-17H2,(H,24,25)