2-[[4-(3-methylbutoxy)phenyl]-methylsulfonyl-amino]ethanoic acid

Systemtic Name: 2-[[4-(3-methylbutoxy)phenyl]-methylsulfonyl-amino]ethanoic acid Openeye Name: 2-(4-isopentyloxy-N-methylsulfonyl-anilino)acetic acid CAS Name: 2-[4-(3-methylbutoxy)-N-methylsulfonylanilino]acetic acid IUPAC Name: 2-[4-(3-methylbutoxy)-N-methylsulfonylanilino]acetic acid Traditional Name: 2-(4-isoamoxy-N-mesyl-anilino)acetic acid Formula: C14H21NO5S MolecularWeight: 315.38524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)N(CC(=O)O)S(=O)(=O)C

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)N(CC(=O)O)S(=O)(=O)C

InChI

InChI=1S/C14H21NO5S/c1-11(2)8-9-20-13-6-4-12(5-7-13)15(10-14(16)17)21(3,18)19/h4-7,11H,8-10H2,1-3H3,(H,16,17)