[(2R)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl] 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [(2R)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl] 3-piperidin-1-ylsulfonylbenzoate Openeye Name: [(1R)-2-(4-ethoxyphenyl)-1-methyl-2-oxo-ethyl] 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid [(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid [(1R)-2-keto-1-methyl-2-p-phenetyl-ethyl] ester Formula: C23H27NO6S MolecularWeight: 445.52858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)[C@@H](C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C23H27NO6S/c1-3-29-20-12-10-18(11-13-20)22(25)17(2)30-23(26)19-8-7-9-21(16-19)31(27,28)24-14-5-4-6-15-24/h7-13,16-17H,3-6,14-15H2,1-2H3/t17-/m1/s1