2-[(4-methylphenyl)sulfonyl-octyl-amino]ethanoic acid

Systemtic Name: 2-[(4-methylphenyl)sulfonyl-octyl-amino]ethanoic acid Openeye Name: 2-[octyl(p-tolylsulfonyl)amino]acetic acid CAS Name: 2-[(4-methylphenyl)sulfonyl-octylamino]acetic acid IUPAC Name: 2-[(4-methylphenyl)sulfonyl-octylamino]acetic acid Traditional Name: 2-[octyl(tosyl)amino]acetic acid Formula: C17H27NO4S MolecularWeight: 341.46558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO4S/c1-3-4-5-6-7-8-13-18(14-17(19)20)23(21,22)16-11-9-15(2)10-12-16/h9-12H,3-8,13-14H2,1-2H3,(H,19,20)