ethyl (2R,3R)-3-[(4-methoxyphenyl)amino]-2-[(4-methylphenyl)sulfonylamino]-5-phenyl-pent-4-ynoate

Systemtic Name: ethyl (2R,3R)-3-[(4-methoxyphenyl)amino]-2-[(4-methylphenyl)sulfonylamino]-5-phenyl-pent-4-ynoate Openeye Name: ethyl (2R,3R)-3-(4-methoxyanilino)-5-phenyl-2-(p-tolylsulfonylamino)pent-4-ynoate CAS Name: (2R,3R)-3-(4-methoxyanilino)-2-[(4-methylphenyl)sulfonylamino]-5-phenyl-4-pentynoic acid ethyl ester IUPAC Name: ethyl (2R,3R)-3-(4-methoxyanilino)-2-[(4-methylphenyl)sulfonylamino]-5-phenylpent-4-ynoate Traditional Name: (2R,3R)-3-(p-anisidino)-5-phenyl-2-(tosylamino)pent-4-ynoic acid ethyl ester Formula: C27H28N2O5S MolecularWeight: 492.58662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C#CC1=CC=CC=C1)NC2=CC=C(C=C2)OC)NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)[C@@H]([C@@H](C#CC1=CC=CC=C1)NC2=CC=C(C=C2)OC)NS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C27H28N2O5S/c1-4-34-27(30)26(29-35(31,32)24-17-10-20(2)11-18-24)25(19-12-21-8-6-5-7-9-21)28-22-13-15-23(33-3)16-14-22/h5-11,13-18,25-26,28-29H,4H2,1-3H3/t25-,26-/m1/s1