(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)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:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2

InChI

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