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

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-piperidin-1-ylsulfonylbenzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidinosulfonylbenzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O5S/c1-13(20)16(11-19)17(22)12-26-18(23)14-5-7-15(8-6-14)27(24,25)21-9-3-2-4-10-21/h5-8,16,20H,2-4,9-10,12H2,1H3