3-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]propanoate

Systemtic Name: 3-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]propanoate Openeye Name: 3-[benzyl(p-tolylsulfonyl)amino]propanoate CAS Name: 3-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]propanoate IUPAC Name: 3-[benzyl-(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-[benzyl(tosyl)amino]propionate Formula: C17H18NO4S- MolecularWeight: 332.39412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)[O-])CC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)[O-])CC2=CC=CC=C2

InChI

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