[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 4-[[(2R)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[(2R)-2-methyl-1-piperidinyl]sulfonyl]benzoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[(2R)-2-methylpiperidino]sulfonylbenzoic 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:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

C[C@@H]1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C19H23N3O5S/c1-13-5-3-4-10-22(13)28(25,26)16-8-6-15(7-9-16)19(24)27-12-18(23)17(11-20)14(2)21/h6-9,13,17,21H,3-5,10,12H2,1-2H3/t13-,17-/m1/s1