[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-[butyl(phenyl)sulfamoyl]benzoate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-[butyl(phenyl)sulfamoyl]benzoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 3-[butyl(phenyl)sulfamoyl]benzoate CAS Name: 3-[butyl(phenyl)sulfamoyl]benzoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 3-[butyl(phenyl)sulfamoyl]benzoate Traditional Name: 3-[butyl(phenyl)sulfamoyl]benzoic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CCCCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C23H25N3O5S/c1-3-4-13-26(19-10-6-5-7-11-19)32(29,30)20-12-8-9-18(14-20)23(28)31-16-22(27)21(15-24)17(2)25/h5-12,14,21,25H,3-4,13,16H2,1-2H3/t21-/m0/s1