2-[(4-methylphenyl)sulfonyl-phenethyl-amino]ethanoate

Systemtic Name: 2-[(4-methylphenyl)sulfonyl-phenethyl-amino]ethanoate Openeye Name: 2-[phenethyl(p-tolylsulfonyl)amino]acetate CAS Name: 2-[(4-methylphenyl)sulfonyl-phenethylamino]acetate IUPAC Name: 2-[(4-methylphenyl)sulfonyl-phenethylamino]acetate Traditional Name: 2-[phenethyl(tosyl)amino]acetate Formula: C17H18NO4S- MolecularWeight: 332.39412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-]

InChI

InChI=1S/C17H19NO4S/c1-14-7-9-16(10-8-14)23(21,22)18(13-17(19)20)12-11-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,19,20)/p-1