[(1S)-1-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]prop-2-ynyl] ethanoate

Systemtic Name: [(1S)-1-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]prop-2-ynyl] ethanoate Openeye Name: [(1S)-1-[(2S)-1-(p-tolylsulfonyl)pyrrolidin-2-yl]prop-2-ynyl] acetate CAS Name: acetic acid [(1S)-1-[(2S)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]prop-2-ynyl] ester IUPAC Name: [(1S)-1-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]prop-2-ynyl] acetate Traditional Name: acetic acid [(1S)-1-[(2S)-1-tosylpyrrolidin-2-yl]prop-2-ynyl] ester Formula: C16H19NO4S MolecularWeight: 321.39136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(C#C)OC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2[C@H](C#C)OC(=O)C

InChI

InChI=1S/C16H19NO4S/c1-4-16(21-13(3)18)15-6-5-11-17(15)22(19,20)14-9-7-12(2)8-10-14/h1,7-10,15-16H,5-6,11H2,2-3H3/t15-,16-/m0/s1