ethyl (2R,3S)-2-[(4-methylphenyl)sulfonylamino]-3-[(2-methylsulfanylphenyl)amino]-3-phenyl-propanoate

Systemtic Name: ethyl (2R,3S)-2-[(4-methylphenyl)sulfonylamino]-3-[(2-methylsulfanylphenyl)amino]-3-phenyl-propanoate Openeye Name: ethyl (2R,3S)-3-(2-methylsulfanylanilino)-3-phenyl-2-(p-tolylsulfonylamino)propanoate CAS Name: (2R,3S)-2-[(4-methylphenyl)sulfonylamino]-3-[2-(methylthio)anilino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2R,3S)-2-[(4-methylphenyl)sulfonylamino]-3-(2-methylsulfanylanilino)-3-phenylpropanoate Traditional Name: (2R,3S)-3-[2-(methylthio)anilino]-3-phenyl-2-(tosylamino)propionic acid ethyl ester Formula: C25H28N2O4S2 MolecularWeight: 484.63082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=CC=C1)NC2=CC=CC=C2SC)NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)[C@@H]([C@H](C1=CC=CC=C1)NC2=CC=CC=C2SC)NS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H28N2O4S2/c1-4-31-25(28)24(27-33(29,30)20-16-14-18(2)15-17-20)23(19-10-6-5-7-11-19)26-21-12-8-9-13-22(21)32-3/h5-17,23-24,26-27H,4H2,1-3H3/t23-,24+/m0/s1