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

Systemtic Name: ethyl (2R,3S)-3-[(2,4-dimethoxyphenyl)amino]-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoate Openeye Name: ethyl (2R,3S)-3-(2,4-dimethoxyanilino)-3-phenyl-2-(p-tolylsulfonylamino)propanoate CAS Name: (2R,3S)-3-(2,4-dimethoxyanilino)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2R,3S)-3-(2,4-dimethoxyanilino)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate Traditional Name: (2R,3S)-3-(2,4-dimethoxyanilino)-3-phenyl-2-(tosylamino)propionic acid ethyl ester Formula: C26H30N2O6S MolecularWeight: 498.5912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=CC=C1)NC2=C(C=C(C=C2)OC)OC)NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)[C@@H]([C@H](C1=CC=CC=C1)NC2=C(C=C(C=C2)OC)OC)NS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C26H30N2O6S/c1-5-34-26(29)25(28-35(30,31)21-14-11-18(2)12-15-21)24(19-9-7-6-8-10-19)27-22-16-13-20(32-3)17-23(22)33-4/h6-17,24-25,27-28H,5H2,1-4H3/t24-,25+/m0/s1