ethyl 3-bromanyl-4-[(3-pyrrolidin-1-ylcarbonylphenyl)sulfamoyl]benzoate

Systemtic Name: ethyl 3-bromanyl-4-[(3-pyrrolidin-1-ylcarbonylphenyl)sulfamoyl]benzoate Openeye Name: ethyl 3-bromo-4-[[3-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]benzoate CAS Name: 3-bromo-4-[[3-[oxo(1-pyrrolidinyl)methyl]phenyl]sulfamoyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-[[3-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]benzoate Traditional Name: 3-bromo-4-[[3-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]benzoic acid ethyl ester Formula: C20H21BrN2O5S MolecularWeight: 481.36014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2O5S/c1-2-28-20(25)15-8-9-18(17(21)13-15)29(26,27)22-16-7-5-6-14(12-16)19(24)23-10-3-4-11-23/h5-9,12-13,22H,2-4,10-11H2,1H3