(5E)-3-(naphthalen-2-ylsulfonylamino)-2-oxidanylidene-5-phenethylidene-azepane-4-carboxylic acid

Systemtic Name: (5E)-3-(naphthalen-2-ylsulfonylamino)-2-oxidanylidene-5-phenethylidene-azepane-4-carboxylic acid Openeye Name: (5E)-3-(2-naphthylsulfonylamino)-2-oxo-5-phenethylidene-azepane-4-carboxylic acid CAS Name: (5E)-3-(2-naphthalenylsulfonylamino)-2-oxo-5-phenethylidene-4-azepanecarboxylic acid IUPAC Name: (5E)-3-(naphthalen-2-ylsulfonylamino)-2-oxo-5-phenethylideneazepane-4-carboxylic acid Traditional Name: (5E)-2-keto-3-(2-naphthylsulfonylamino)-5-phenethylidene-azepane-4-carboxylic acid Formula: C25H24N2O5S MolecularWeight: 464.53346

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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)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C\1CNC(=O)C(C(/C1=C/CC2=CC=CC=C2)C(=O)O)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H24N2O5S/c28-24-23(27-33(31,32)21-13-12-18-8-4-5-9-20(18)16-21)22(25(29)30)19(14-15-26-24)11-10-17-6-2-1-3-7-17/h1-9,11-13,16,22-23,27H,10,14-15H2,(H,26,28)(H,29,30)/b19-11+