[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (2S,4S)-1-(3,4-dimethylphenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (2S,4S)-1-(3,4-dimethylphenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (2S,4S)-1-(3,4-dimethylphenyl)sulfonyl-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: (2S,4S)-1-(3,4-dimethylphenyl)sulfonyl-4-hydroxy-2-pyrrolidinecarboxylic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (2S,4S)-1-(3,4-dimethylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylate Traditional Name: (2S,4S)-1-(3,4-dimethylphenyl)sulfonyl-4-hydroxy-pyrrolidine-2-carboxylic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C18H22N2O6S MolecularWeight: 394.44208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)OCC(=O)NCC#C)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2C[C@H](C[C@H]2C(=O)OCC(=O)NCC#C)O)C

InChI

InChI=1S/C18H22N2O6S/c1-4-7-19-17(22)11-26-18(23)16-9-14(21)10-20(16)27(24,25)15-6-5-12(2)13(3)8-15/h1,5-6,8,14,16,21H,7,9-11H2,2-3H3,(H,19,22)/t14-,16-/m0/s1