methyl 3-[(4-bromophenyl)methyl-cyclopropyl-sulfamoyl]benzoate

Systemtic Name: methyl 3-[(4-bromophenyl)methyl-cyclopropyl-sulfamoyl]benzoate Openeye Name: methyl 3-[(4-bromophenyl)methyl-cyclopropyl-sulfamoyl]benzoate CAS Name: 3-[(4-bromophenyl)methyl-cyclopropylsulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-bromophenyl)methyl-cyclopropylsulfamoyl]benzoate Traditional Name: 3-[(4-bromobenzyl)-cyclopropyl-sulfamoyl]benzoic acid methyl ester Formula: C18H18BrNO4S MolecularWeight: 424.30882

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)S(=O)(=O)N(CC2=CC=C(C=C2)Br)C3CC3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)S(=O)(=O)N(CC2=CC=C(C=C2)Br)C3CC3

InChI

InChI=1S/C18H18BrNO4S/c1-24-18(21)14-3-2-4-17(11-14)25(22,23)20(16-9-10-16)12-13-5-7-15(19)8-6-13/h2-8,11,16H,9-10,12H2,1H3