methyl (2S)-2-[(4-methylphenyl)sulfonyl-[2-(2-phenylmethoxyphenyl)ethyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[(4-methylphenyl)sulfonyl-[2-(2-phenylmethoxyphenyl)ethyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[2-(2-benzyloxyphenyl)ethyl-(p-tolylsulfonyl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[(4-methylphenyl)sulfonyl-[2-(2-phenylmethoxyphenyl)ethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(4-methylphenyl)sulfonyl-[2-(2-phenylmethoxyphenyl)ethyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[2-(2-benzoxyphenyl)ethyl-tosyl-amino]-3-phenyl-propionic acid methyl ester Formula: C32H33NO5S MolecularWeight: 543.67312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCC2=CC=CC=C2OCC3=CC=CC=C3)C(CC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCC2=CC=CC=C2OCC3=CC=CC=C3)[C@@H](CC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C32H33NO5S/c1-25-17-19-29(20-18-25)39(35,36)33(30(32(34)37-2)23-26-11-5-3-6-12-26)22-21-28-15-9-10-16-31(28)38-24-27-13-7-4-8-14-27/h3-20,30H,21-24H2,1-2H3/t30-/m0/s1