(4-methylsulfanylphenyl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: (4-methylsulfanylphenyl)methyl 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid [4-(methylthio)benzyl] ester Formula: C18H21NO4S2 MolecularWeight: 379.49364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO4S2/c1-14-3-9-17(10-4-14)25(21,22)19-12-11-18(20)23-13-15-5-7-16(24-2)8-6-15/h3-10,19H,11-13H2,1-2H3