[(2S,3S,6S)-3-[(1R)-2-(diethylamino)-2-oxidanylidene-1-(phenylsulfonyl)ethyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methyl benzoate

Systemtic Name: [(2S,3S,6S)-3-[(1R)-2-(diethylamino)-2-oxidanylidene-1-(phenylsulfonyl)ethyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methyl benzoate Openeye Name: [(2S,3S,6S)-3-[(1R)-1-(benzenesulfonyl)-2-(diethylamino)-2-oxo-ethyl]-6-isopropoxy-3,6-dihydro-2H-pyran-2-yl]methyl benzoate CAS Name: benzoic acid [(2S,3S,6S)-3-[(1R)-1-(benzenesulfonyl)-2-(diethylamino)-2-oxoethyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methyl ester IUPAC Name: [(2S,3S,6S)-3-[(1R)-1-(benzenesulfonyl)-2-(diethylamino)-2-oxoethyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methyl benzoate Traditional Name: benzoic acid [(2S,3S,6S)-3-[(1R)-1-besyl-2-(diethylamino)-2-keto-ethyl]-6-isopropoxy-3,6-dihydro-2H-pyran-2-yl]methyl ester Formula: C28H35NO7S MolecularWeight: 529.645

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(C1C=CC(OC1COC(=O)C2=CC=CC=C2)OC(C)C)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)C(=O)[C@@H]([C@H]1C=C[C@H](O[C@@H]1COC(=O)C2=CC=CC=C2)OC(C)C)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C28H35NO7S/c1-5-29(6-2)27(30)26(37(32,33)22-15-11-8-12-16-22)23-17-18-25(35-20(3)4)36-24(23)19-34-28(31)21-13-9-7-10-14-21/h7-18,20,23-26H,5-6,19H2,1-4H3/t23-,24+,25-,26+/m0/s1