2-[(4-methylsulfonylphenyl)-propyl-amino]ethanoic acid

Systemtic Name: 2-[(4-methylsulfonylphenyl)-propyl-amino]ethanoic acid Openeye Name: 2-(4-methylsulfonyl-N-propyl-anilino)acetic acid CAS Name: 2-(4-methylsulfonyl-N-propylanilino)acetic acid IUPAC Name: 2-(4-methylsulfonyl-N-propylanilino)acetic acid Traditional Name: 2-(4-mesyl-N-propyl-anilino)acetic acid Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)O)C1=CC=C(C=C1)S(=O)(=O)C

Isomeric SMILES

CCCN(CC(=O)O)C1=CC=C(C=C1)S(=O)(=O)C

InChI

InChI=1S/C12H17NO4S/c1-3-8-13(9-12(14)15)10-4-6-11(7-5-10)18(2,16)17/h4-7H,3,8-9H2,1-2H3,(H,14,15)