methyl (3R)-1-[4-[[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]amino]phenyl]sulfonylpiperidine-3-carboxylate

Systemtic Name: methyl (3R)-1-[4-[[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]amino]phenyl]sulfonylpiperidine-3-carboxylate Openeye Name: methyl (3R)-1-[4-[[(E)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]amino]phenyl]sulfonylpiperidine-3-carboxylate CAS Name: (3R)-1-[4-[[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]amino]phenyl]sulfonyl-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (3R)-1-[4-[[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]amino]phenyl]sulfonylpiperidine-3-carboxylate Traditional Name: (3R)-1-[4-[[(E)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]amino]phenyl]sulfonylnipecotic acid methyl ester Formula: C19H23N3O6S MolecularWeight: 421.46742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)OC)C#N

Isomeric SMILES

CCOC(=O)/C(=C/NC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H](C2)C(=O)OC)/C#N

InChI

InChI=1S/C19H23N3O6S/c1-3-28-19(24)15(11-20)12-21-16-6-8-17(9-7-16)29(25,26)22-10-4-5-14(13-22)18(23)27-2/h6-9,12,14,21H,3-5,10,13H2,1-2H3/b15-12+/t14-/m1/s1