(5E)-2-oxidanylidene-5-phenethylidene-3-[(phenylmethyl)sulfonylamino]azepane-4-carboxylic acid

Systemtic Name: (5E)-2-oxidanylidene-5-phenethylidene-3-[(phenylmethyl)sulfonylamino]azepane-4-carboxylic acid Openeye Name: (5E)-3-(benzylsulfonylamino)-2-oxo-5-phenethylidene-azepane-4-carboxylic acid CAS Name: (5E)-2-oxo-5-phenethylidene-3-[(phenylmethyl)sulfonylamino]-4-azepanecarboxylic acid IUPAC Name: (5E)-3-(benzylsulfonylamino)-2-oxo-5-phenethylideneazepane-4-carboxylic acid Traditional Name: (5E)-3-(benzylsulfonylamino)-2-keto-5-phenethylidene-azepane-4-carboxylic acid Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)C(C(C1=CCC2=CC=CC=C2)C(=O)O)NS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C\1CNC(=O)C(C(/C1=C/CC2=CC=CC=C2)C(=O)O)NS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O5S/c25-21-20(24-30(28,29)15-17-9-5-2-6-10-17)19(22(26)27)18(13-14-23-21)12-11-16-7-3-1-4-8-16/h1-10,12,19-20,24H,11,13-15H2,(H,23,25)(H,26,27)/b18-12+