[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-methyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-methyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 2-methyl-5-morpholinosulfonyl-benzoate CAS Name: 2-methyl-5-(4-morpholinylsulfonyl)benzoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-methyl-5-morpholinosulfonyl-benzoic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C18H21N3O6S/c1-12-3-4-14(28(24,25)21-5-7-26-8-6-21)9-15(12)18(23)27-11-17(22)16(10-19)13(2)20/h3-4,9,16,20H,5-8,11H2,1-2H3/t16-/m1/s1