(phenylmethyl) 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate

Systemtic Name: (phenylmethyl) 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate Openeye Name: benzyl 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate CAS Name: 3-[(2,5-dimethylphenyl)sulfonylamino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(2,5-dimethylphenyl)sulfonylamino]propionic acid benzyl ester Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NCCC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NCCC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H21NO4S/c1-14-8-9-15(2)17(12-14)24(21,22)19-11-10-18(20)23-13-16-6-4-3-5-7-16/h3-9,12,19H,10-11,13H2,1-2H3