[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [(3S)-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)C(=O)OCC(=O)C(C#N)C(=N)C)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)[C@H](C#N)C(=N)C)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C19H23N3O5S/c1-13-6-7-15(19(24)27-12-17(23)16(11-20)14(2)21)10-18(13)28(25,26)22-8-4-3-5-9-22/h6-7,10,16,21H,3-5,8-9,12H2,1-2H3/t16-/m1/s1