ethyl (2S,3S)-7-cyclohexyl-2-[(4-methylphenyl)sulfonylamino]-3-oxidanyl-hept-4-ynoate

Systemtic Name: ethyl (2S,3S)-7-cyclohexyl-2-[(4-methylphenyl)sulfonylamino]-3-oxidanyl-hept-4-ynoate Openeye Name: ethyl (2S,3S)-7-cyclohexyl-3-hydroxy-2-(p-tolylsulfonylamino)hept-4-ynoate CAS Name: (2S,3S)-7-cyclohexyl-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-4-heptynoic acid ethyl ester IUPAC Name: ethyl (2S,3S)-7-cyclohexyl-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]hept-4-ynoate Traditional Name: (2S,3S)-7-cyclohexyl-3-hydroxy-2-(tosylamino)hept-4-ynoic acid ethyl ester Formula: C22H31NO5S MolecularWeight: 421.55024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C#CCCC1CCCCC1)O)NS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)[C@H]([C@H](C#CCCC1CCCCC1)O)NS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C22H31NO5S/c1-3-28-22(25)21(23-29(26,27)19-15-13-17(2)14-16-19)20(24)12-8-7-11-18-9-5-4-6-10-18/h13-16,18,20-21,23-24H,3-7,9-11H2,1-2H3/t20-,21-/m0/s1