methyl 2-[(1R,2S)-2-ethynyl-2-(phenylsulfonyl)cyclohexyl]ethanoate

Systemtic Name: methyl 2-[(1R,2S)-2-ethynyl-2-(phenylsulfonyl)cyclohexyl]ethanoate Openeye Name: methyl 2-[(1R,2S)-2-(benzenesulfonyl)-2-ethynyl-cyclohexyl]acetate CAS Name: 2-[(1R,2S)-2-(benzenesulfonyl)-2-ethynylcyclohexyl]acetic acid methyl ester IUPAC Name: methyl 2-[(1R,2S)-2-(benzenesulfonyl)-2-ethynylcyclohexyl]acetate Traditional Name: 2-[(1R,2S)-2-besyl-2-ethynyl-cyclohexyl]acetic acid methyl ester Formula: C17H20O4S MolecularWeight: 320.4033

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CCCCC1(C#C)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C[C@H]1CCCC[C@]1(C#C)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H20O4S/c1-3-17(22(19,20)15-10-5-4-6-11-15)12-8-7-9-14(17)13-16(18)21-2/h1,4-6,10-11,14H,7-9,12-13H2,2H3/t14-,17+/m1/s1