2-[(4-bromophenyl)-methylsulfonyl-amino]propanoic acid

Systemtic Name: 2-[(4-bromophenyl)-methylsulfonyl-amino]propanoic acid Openeye Name: 2-(4-bromo-N-methylsulfonyl-anilino)propanoic acid CAS Name: 2-(4-bromo-N-methylsulfonylanilino)propanoic acid IUPAC Name: 2-(4-bromo-N-methylsulfonylanilino)propanoic acid Traditional Name: 2-(4-bromo-N-mesyl-anilino)propionic acid Formula: C10H12BrNO4S MolecularWeight: 322.17558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N(C1=CC=C(C=C1)Br)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)O)N(C1=CC=C(C=C1)Br)S(=O)(=O)C

InChI

InChI=1S/C10H12BrNO4S/c1-7(10(13)14)12(17(2,15)16)9-5-3-8(11)4-6-9/h3-7H,1-2H3,(H,13,14)