ethyl (2S)-2-[2-[(4-methylphenyl)sulfonylamino]ethanoyl-phenyl-amino]-3-phenyl-propanoate

Systemtic Name: ethyl (2S)-2-[2-[(4-methylphenyl)sulfonylamino]ethanoyl-phenyl-amino]-3-phenyl-propanoate Openeye Name: ethyl (2S)-3-phenyl-2-(N-[2-(p-tolylsulfonylamino)acetyl]anilino)propanoate CAS Name: (2S)-2-(N-[2-[(4-methylphenyl)sulfonylamino]-1-oxoethyl]anilino)-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-(N-[2-[(4-methylphenyl)sulfonylamino]acetyl]anilino)-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-(N-[2-(tosylamino)acetyl]anilino)propionic acid ethyl ester Formula: C26H28N2O5S MolecularWeight: 480.57592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)N(C2=CC=CC=C2)C(=O)CNS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=CC=C1)N(C2=CC=CC=C2)C(=O)CNS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C26H28N2O5S/c1-3-33-26(30)24(18-21-10-6-4-7-11-21)28(22-12-8-5-9-13-22)25(29)19-27-34(31,32)23-16-14-20(2)15-17-23/h4-17,24,27H,3,18-19H2,1-2H3/t24-/m0/s1