methyl (3S)-1-[4-(furan-3-ylcarbonylamino)phenyl]sulfonylpiperidine-3-carboxylate

Systemtic Name: methyl (3S)-1-[4-(furan-3-ylcarbonylamino)phenyl]sulfonylpiperidine-3-carboxylate Openeye Name: methyl (3S)-1-[4-(furan-3-carbonylamino)phenyl]sulfonylpiperidine-3-carboxylate CAS Name: (3S)-1-[4-[[3-furanyl(oxo)methyl]amino]phenyl]sulfonyl-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (3S)-1-[4-(furan-3-carbonylamino)phenyl]sulfonylpiperidine-3-carboxylate Traditional Name: (3S)-1-[4-(3-furoylamino)phenyl]sulfonylnipecotic acid methyl ester Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=COC=C3

Isomeric SMILES

COC(=O)[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=COC=C3

InChI

InChI=1S/C18H20N2O6S/c1-25-18(22)13-3-2-9-20(11-13)27(23,24)16-6-4-15(5-7-16)19-17(21)14-8-10-26-12-14/h4-8,10,12-13H,2-3,9,11H2,1H3,(H,19,21)/t13-/m0/s1