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

Systemtic Name: (2-methoxy-2-oxidanylidene-ethyl) 4-chloranyl-3-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzoate Openeye Name: (2-methoxy-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-methoxy-2-oxoethyl) ester IUPAC Name: (2-methoxy-2-oxoethyl) 4-chloro-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-chloro-3-[(3S)-3-methylpiperidino]sulfonyl-benzoic acid (2-keto-2-methoxy-ethyl) ester Formula: C16H20ClNO6S MolecularWeight: 389.8511

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClNO6S/c1-11-4-3-7-18(9-11)25(21,22)14-8-12(5-6-13(14)17)16(20)24-10-15(19)23-2/h5-6,8,11H,3-4,7,9-10H2,1-2H3/t11-/m0/s1