(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC(=O)C(C#N)C(=N)C

InChI

InChI=1S/C19H23N3O5S/c1-13-6-7-15(28(25,26)22-8-4-3-5-9-22)10-16(13)19(24)27-12-18(23)17(11-20)14(2)21/h6-7,10,17,21H,3-5,8-9,12H2,1-2H3