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

Systemtic Name: (2-oxidanylidene-2-propan-2-yloxy-ethyl) 4-chloranyl-3-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzoate Openeye Name: (2-isopropoxy-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-oxo-2-propan-2-yloxyethyl) ester IUPAC Name: (2-oxo-2-propan-2-yloxyethyl) 4-chloro-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-chloro-3-[(3S)-3-methylpiperidino]sulfonyl-benzoic acid (2-isopropoxy-2-keto-ethyl) ester Formula: C18H24ClNO6S MolecularWeight: 417.90426

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H24ClNO6S/c1-12(2)26-17(21)11-25-18(22)14-6-7-15(19)16(9-14)27(23,24)20-8-4-5-13(3)10-20/h6-7,9,12-13H,4-5,8,10-11H2,1-3H3/t13-/m0/s1