methyl 5-bromanyl-2-[(4-pyrrolidin-1-ylcarbonylphenyl)sulfamoyl]benzoate

Systemtic Name: methyl 5-bromanyl-2-[(4-pyrrolidin-1-ylcarbonylphenyl)sulfamoyl]benzoate Openeye Name: methyl 5-bromo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]benzoate CAS Name: 5-bromo-2-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 5-bromo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]benzoate Traditional Name: 5-bromo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]benzoic acid methyl ester Formula: C19H19BrN2O5S MolecularWeight: 467.33356

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)Br)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCCC3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)Br)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCCC3

InChI

InChI=1S/C19H19BrN2O5S/c1-27-19(24)16-12-14(20)6-9-17(16)28(25,26)21-15-7-4-13(5-8-15)18(23)22-10-2-3-11-22/h4-9,12,21H,2-3,10-11H2,1H3