(4Z)-2-oxidanylidene-4-phenethylidene-5-(phenylsulfonylamino)azepane-3-carboxylic acid

Systemtic Name: (4Z)-2-oxidanylidene-4-phenethylidene-5-(phenylsulfonylamino)azepane-3-carboxylic acid Openeye Name: (4Z)-5-(benzenesulfonamido)-2-oxo-4-phenethylidene-azepane-3-carboxylic acid CAS Name: (4Z)-5-(benzenesulfonamido)-2-oxo-4-phenethylidene-3-azepanecarboxylic acid IUPAC Name: (4Z)-5-(benzenesulfonamido)-2-oxo-4-phenethylideneazepane-3-carboxylic acid Traditional Name: (4Z)-5-(benzenesulfonamido)-2-keto-4-phenethylidene-azepane-3-carboxylic acid Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)C(C(=CCC2=CC=CC=C2)C1NS(=O)(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CNC(=O)C(/C(=C/CC2=CC=CC=C2)/C1NS(=O)(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H22N2O5S/c24-20-19(21(25)26)17(12-11-15-7-3-1-4-8-15)18(13-14-22-20)23-29(27,28)16-9-5-2-6-10-16/h1-10,12,18-19,23H,11,13-14H2,(H,22,24)(H,25,26)/b17-12+