(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C20H25N3O5S/c1-15(22)18(13-21)19(24)14-28-20(25)10-7-16-5-8-17(9-6-16)29(26,27)23-11-3-2-4-12-23/h5-6,8-9,18,22H,2-4,7,10-12,14H2,1H3