(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 5-indolin-1-ylsulfonyl-2-methoxy-benzoate CAS Name: 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-indolin-1-ylsulfonyl-2-methoxy-benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C22H21N3O6S MolecularWeight: 455.48364

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCC3=CC=CC=C32)OC

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCC3=CC=CC=C32)OC

InChI

InChI=1S/C22H21N3O6S/c1-14(24)18(12-23)20(26)13-31-22(27)17-11-16(7-8-21(17)30-2)32(28,29)25-10-9-15-5-3-4-6-19(15)25/h3-8,11,18,24H,9-10,13H2,1-2H3