[(2R)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(1-piperidyl)ethyl] 4-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid [(2R)-1-oxo-1-(1-piperidinyl)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-methylpiperidino)sulfonylbenzoic acid [(1R)-2-keto-1-methyl-2-piperidino-ethyl] ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC(C)C(=O)N3CCCCC3

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)O[C@H](C)C(=O)N3CCCCC3

InChI

InChI=1S/C21H30N2O5S/c1-16-10-14-23(15-11-16)29(26,27)19-8-6-18(7-9-19)21(25)28-17(2)20(24)22-12-4-3-5-13-22/h6-9,16-17H,3-5,10-15H2,1-2H3/t17-/m1/s1