ethyl 3-bromanyl-4-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]benzoate

Systemtic Name: ethyl 3-bromanyl-4-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]benzoate Openeye Name: ethyl 3-bromo-4-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]benzoate CAS Name: 3-bromo-4-[[2-(1-pyrrolidinylmethyl)phenyl]methylsulfamoyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]benzoate Traditional Name: 3-bromo-4-[[2-(pyrrolidinomethyl)benzyl]sulfamoyl]benzoic acid ethyl ester Formula: C21H25BrN2O4S MolecularWeight: 481.4032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2CN3CCCC3)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2CN3CCCC3)Br

InChI

InChI=1S/C21H25BrN2O4S/c1-2-28-21(25)16-9-10-20(19(22)13-16)29(26,27)23-14-17-7-3-4-8-18(17)15-24-11-5-6-12-24/h3-4,7-10,13,23H,2,5-6,11-12,14-15H2,1H3