methyl 1-[4-methoxy-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[4-methoxy-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: methyl 1-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[4-methoxy-3-(2-oxo-1-pyrrolidinyl)phenyl]sulfonyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[3-(2-ketopyrrolidino)-4-methoxy-phenyl]sulfonylisonipecotic acid methyl ester Formula: C18H24N2O6S MolecularWeight: 396.45796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC)N3CCCC3=O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC)N3CCCC3=O

InChI

InChI=1S/C18H24N2O6S/c1-25-16-6-5-14(12-15(16)20-9-3-4-17(20)21)27(23,24)19-10-7-13(8-11-19)18(22)26-2/h5-6,12-13H,3-4,7-11H2,1-2H3