butyl 4-[[2-bromanyl-5-(cyclopropylsulfamoyl)phenyl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[2-bromanyl-5-(cyclopropylsulfamoyl)phenyl]carbonylamino]benzoate Openeye Name: butyl 4-[[2-bromo-5-(cyclopropylsulfamoyl)benzoyl]amino]benzoate CAS Name: 4-[[[2-bromo-5-(cyclopropylsulfamoyl)phenyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-bromo-5-(cyclopropylsulfamoyl)benzoyl]amino]benzoate Traditional Name: 4-[[2-bromo-5-(cyclopropylsulfamoyl)benzoyl]amino]benzoic acid butyl ester Formula: C21H23BrN2O5S MolecularWeight: 495.38672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3CC3)Br

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3CC3)Br

InChI

InChI=1S/C21H23BrN2O5S/c1-2-3-12-29-21(26)14-4-6-15(7-5-14)23-20(25)18-13-17(10-11-19(18)22)30(27,28)24-16-8-9-16/h4-7,10-11,13,16,24H,2-3,8-9,12H2,1H3,(H,23,25)