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

Systemtic Name: (2R)-2-[(4-methylphenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: (2R)-3-benzylsulfanyl-2-(p-tolylsulfonylamino)propanoate CAS Name: (2R)-2-[(4-methylphenyl)sulfonylamino]-3-(phenylmethylthio)propanoate IUPAC Name: (2R)-3-benzylsulfanyl-2-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: (2R)-3-(benzylthio)-2-(tosylamino)propionate Formula: C17H18NO4S2- MolecularWeight: 364.45912

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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)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CSCC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C17H19NO4S2/c1-13-7-9-15(10-8-13)24(21,22)18-16(17(19)20)12-23-11-14-5-3-2-4-6-14/h2-10,16,18H,11-12H2,1H3,(H,19,20)/p-1/t16-/m0/s1