2-[(4-bromophenyl)carbonyl-(furan-2-ylmethyl)amino]-4-chloranyl-5-sulfamoyl-benzoic acid

Systemtic Name: 2-[(4-bromophenyl)carbonyl-(furan-2-ylmethyl)amino]-4-chloranyl-5-sulfamoyl-benzoic acid Openeye Name: 2-[(4-bromobenzoyl)-(2-furylmethyl)amino]-4-chloro-5-sulfamoyl-benzoic acid CAS Name: 2-[[(4-bromophenyl)-oxomethyl]-(2-furanylmethyl)amino]-4-chloro-5-sulfamoylbenzoic acid IUPAC Name: 2-[(4-bromobenzoyl)-(furan-2-ylmethyl)amino]-4-chloro-5-sulfamoylbenzoic acid Traditional Name: 2-[(4-bromobenzoyl)-(2-furfuryl)amino]-4-chloro-5-sulfamoyl-benzoic acid Formula: C19H14BrClN2O6S MolecularWeight: 513.74626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CN(C2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=COC(=C1)CN(C2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl)C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H14BrClN2O6S/c20-12-5-3-11(4-6-12)18(24)23(10-13-2-1-7-29-13)16-9-15(21)17(30(22,27)28)8-14(16)19(25)26/h1-9H,10H2,(H,25,26)(H2,22,27,28)