[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl] 4-chloranyl-3-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzoate

Systemtic Name: [2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl] 4-chloranyl-3-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzoate Openeye Name: (2-tert-butoxy-2-oxo-ethyl) 4-chloro-3-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-chloro-3-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]benzoic acid [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 4-chloro-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-chloro-3-[(3S)-3-methylpiperidino]sulfonyl-benzoic acid (2-tert-butoxy-2-keto-ethyl) ester Formula: C19H26ClNO6S MolecularWeight: 431.93084

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)OC(C)(C)C)Cl

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)OC(C)(C)C)Cl

InChI

InChI=1S/C19H26ClNO6S/c1-13-6-5-9-21(11-13)28(24,25)16-10-14(7-8-15(16)20)18(23)26-12-17(22)27-19(2,3)4/h7-8,10,13H,5-6,9,11-12H2,1-4H3/t13-/m0/s1