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

Systemtic Name: methyl 2-[(4-methylphenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 3-benzylsulfanyl-2-(p-tolylsulfonylamino)propanoate CAS Name: 2-[(4-methylphenyl)sulfonylamino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 3-benzylsulfanyl-2-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(benzylthio)-2-(tosylamino)propionic acid methyl ester Formula: C18H21NO4S2 MolecularWeight: 379.49364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CSCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CSCC2=CC=CC=C2)C(=O)OC

InChI

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