(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-(4-morpholin-4-ylsulfonylphenyl)propanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 3-(4-morpholinosulfonylphenyl)propanoate CAS Name: 3-[4-(4-morpholinylsulfonyl)phenyl]propanoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-morpholinosulfonylphenyl)propionic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C19H23N3O6S MolecularWeight: 421.46742

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C19H23N3O6S/c1-14(21)17(12-20)18(23)13-28-19(24)7-4-15-2-5-16(6-3-15)29(25,26)22-8-10-27-11-9-22/h2-3,5-6,17,21H,4,7-11,13H2,1H3