(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate CAS Name: 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Traditional Name: 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC3=CC=CC=C32

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC3=CC=CC=C32

InChI

InChI=1S/C22H21N3O5S/c1-15(24)19(13-23)21(26)14-30-22(27)17-8-10-18(11-9-17)31(28,29)25-12-4-6-16-5-2-3-7-20(16)25/h2-3,5,7-11,19,24H,4,6,12,14H2,1H3