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

Systemtic Name: ethyl (2R,3S)-2-[(4-methylphenyl)sulfonylamino]-3-oxidanyl-5-phenyl-pent-4-ynoate Openeye Name: ethyl (2R,3S)-3-hydroxy-5-phenyl-2-(p-tolylsulfonylamino)pent-4-ynoate CAS Name: (2R,3S)-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-5-phenyl-4-pentynoic acid ethyl ester IUPAC Name: ethyl (2R,3S)-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-5-phenylpent-4-ynoate Traditional Name: (2R,3S)-3-hydroxy-5-phenyl-2-(tosylamino)pent-4-ynoic acid ethyl ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO5S/c1-3-26-20(23)19(18(22)14-11-16-7-5-4-6-8-16)21-27(24,25)17-12-9-15(2)10-13-17/h4-10,12-13,18-19,21-22H,3H2,1-2H3/t18-,19+/m0/s1