[(2R)-1-(dimethylamino)-1-oxidanylidene-propan-2-yl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [(2R)-1-(dimethylamino)-1-oxidanylidene-propan-2-yl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [(1R)-2-(dimethylamino)-1-methyl-2-oxo-ethyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [(2R)-1-(dimethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [(1R)-2-(dimethylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)N(C)C)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O[C@H](C)C(=O)N(C)C)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C18H26N2O5S/c1-13-8-9-15(18(22)25-14(2)17(21)19(3)4)12-16(13)26(23,24)20-10-6-5-7-11-20/h8-9,12,14H,5-7,10-11H2,1-4H3/t14-/m1/s1