methyl (2S)-3-(4-cyanophenyl)-2-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: methyl (2S)-3-(4-cyanophenyl)-2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: methyl (2S)-3-(4-cyanophenyl)-2-(p-tolylsulfonylamino)propanoate CAS Name: (2S)-3-(4-cyanophenyl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(4-cyanophenyl)-2-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: (2S)-3-(4-cyanophenyl)-2-(tosylamino)propionic acid methyl ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=C(C=C2)C#N)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=C(C=C2)C#N)C(=O)OC

InChI

InChI=1S/C18H18N2O4S/c1-13-3-9-16(10-4-13)25(22,23)20-17(18(21)24-2)11-14-5-7-15(12-19)8-6-14/h3-10,17,20H,11H2,1-2H3/t17-/m0/s1