ethyl (2S,3S)-2-[(4-methylphenyl)sulfonylamino]-3-oxidanyl-5-phenyl-3-propan-2-yl-pent-4-ynoate

Systemtic Name: ethyl (2S,3S)-2-[(4-methylphenyl)sulfonylamino]-3-oxidanyl-5-phenyl-3-propan-2-yl-pent-4-ynoate Openeye Name: ethyl (2S,3S)-3-hydroxy-3-isopropyl-5-phenyl-2-(p-tolylsulfonylamino)pent-4-ynoate CAS Name: (2S,3S)-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-5-phenyl-3-propan-2-yl-4-pentynoic acid ethyl ester IUPAC Name: ethyl (2S,3S)-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-5-phenyl-3-propan-2-ylpent-4-ynoate Traditional Name: (2S,3S)-3-hydroxy-3-isopropyl-5-phenyl-2-(tosylamino)pent-4-ynoic acid ethyl ester Formula: C23H27NO5S MolecularWeight: 429.52918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO5S/c1-5-29-22(25)21(24-30(27,28)20-13-11-18(4)12-14-20)23(26,17(2)3)16-15-19-9-7-6-8-10-19/h6-14,17,21,24,26H,5H2,1-4H3/t21-,23-/m1/s1