(4-cyano-2-methoxy-phenyl) 2-bromanyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (4-cyano-2-methoxy-phenyl) 2-bromanyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (4-cyano-2-methoxy-phenyl) 2-bromo-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-bromo-5-(1-pyrrolidinylsulfonyl)benzoic acid (4-cyano-2-methoxyphenyl) ester IUPAC Name: (4-cyano-2-methoxyphenyl) 2-bromo-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-bromo-5-pyrrolidinosulfonyl-benzoic acid (4-cyano-2-methoxy-phenyl) ester Formula: C19H17BrN2O5S MolecularWeight: 465.31768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Br

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Br

InChI

InChI=1S/C19H17BrN2O5S/c1-26-18-10-13(12-21)4-7-17(18)27-19(23)15-11-14(5-6-16(15)20)28(24,25)22-8-2-3-9-22/h4-7,10-11H,2-3,8-9H2,1H3