(2-bromanyl-4-cyano-6-ethoxy-phenyl) 4-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 4-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 4-(2-oxopyrrolidin-1-yl)benzenesulfonate CAS Name: 4-(2-oxo-1-pyrrolidinyl)benzenesulfonic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 4-(2-oxopyrrolidin-1-yl)benzenesulfonate Traditional Name: 4-(2-ketopyrrolidino)benzenesulfonic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C19H17BrN2O5S MolecularWeight: 465.31768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OS(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OS(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O

InChI

InChI=1S/C19H17BrN2O5S/c1-2-26-17-11-13(12-21)10-16(20)19(17)27-28(24,25)15-7-5-14(6-8-15)22-9-3-4-18(22)23/h5-8,10-11H,2-4,9H2,1H3