2-[(4-butylphenyl)-methylsulfonyl-amino]ethanoic acid

Systemtic Name: 2-[(4-butylphenyl)-methylsulfonyl-amino]ethanoic acid Openeye Name: 2-(4-butyl-N-methylsulfonyl-anilino)acetic acid CAS Name: 2-(4-butyl-N-methylsulfonylanilino)acetic acid IUPAC Name: 2-(4-butyl-N-methylsulfonylanilino)acetic acid Traditional Name: 2-(4-butyl-N-mesyl-anilino)acetic acid Formula: C13H19NO4S MolecularWeight: 285.35926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N(CC(=O)O)S(=O)(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N(CC(=O)O)S(=O)(=O)C

InChI

InChI=1S/C13H19NO4S/c1-3-4-5-11-6-8-12(9-7-11)14(10-13(15)16)19(2,17)18/h6-9H,3-5,10H2,1-2H3,(H,15,16)