[(1R)-2-methoxy-2-oxidanylidene-1-phenyl-ethyl] 4-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [(1R)-2-methoxy-2-oxidanylidene-1-phenyl-ethyl] 4-piperidin-1-ylsulfonylbenzoate Openeye Name: [(1R)-2-methoxy-2-oxo-1-phenyl-ethyl] 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid [(1R)-2-methoxy-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-methoxy-2-oxo-1-phenylethyl] 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidinosulfonylbenzoic acid [(1R)-2-keto-2-methoxy-1-phenyl-ethyl] ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC(=O)[C@@H](C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H23NO6S/c1-27-21(24)19(16-8-4-2-5-9-16)28-20(23)17-10-12-18(13-11-17)29(25,26)22-14-6-3-7-15-22/h2,4-5,8-13,19H,3,6-7,14-15H2,1H3/t19-/m1/s1