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

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-ethyl] 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-benzoate Openeye Name: [2-(dimethylamino)-2-oxo-ethyl] 4-methoxy-3-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-methoxy-3-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzoic acid [2-(dimethylamino)-2-oxoethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxoethyl] 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-methoxy-3-[(2S)-2-methylpiperidino]sulfonyl-benzoic acid [2-(dimethylamino)-2-keto-ethyl] ester Formula: C18H26N2O6S MolecularWeight: 398.47384

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N(C)C)OC

Isomeric SMILES

C[C@H]1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N(C)C)OC

InChI

InChI=1S/C18H26N2O6S/c1-13-7-5-6-10-20(13)27(23,24)16-11-14(8-9-15(16)25-4)18(22)26-12-17(21)19(2)3/h8-9,11,13H,5-7,10,12H2,1-4H3/t13-/m0/s1