3-[[(E)-4-bromanylbut-2-enyl]amino]-4-phenoxy-5-sulfamoyl-benzoic acid

Systemtic Name: 3-[[(E)-4-bromanylbut-2-enyl]amino]-4-phenoxy-5-sulfamoyl-benzoic acid Openeye Name: 3-[[(E)-4-bromobut-2-enyl]amino]-4-phenoxy-5-sulfamoyl-benzoic acid CAS Name: 3-[[(E)-4-bromobut-2-enyl]amino]-4-phenoxy-5-sulfamoylbenzoic acid IUPAC Name: 3-[[(E)-4-bromobut-2-enyl]amino]-4-phenoxy-5-sulfamoylbenzoic acid Traditional Name: 3-[[(E)-4-bromobut-2-enyl]amino]-4-phenoxy-5-sulfamoyl-benzoic acid Formula: C17H17BrN2O5S MolecularWeight: 441.29628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)NCC=CCBr

Isomeric SMILES

C1=CC=C(C=C1)OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)NC/C=C/CBr

InChI

InChI=1S/C17H17BrN2O5S/c18-8-4-5-9-20-14-10-12(17(21)22)11-15(26(19,23)24)16(14)25-13-6-2-1-3-7-13/h1-7,10-11,20H,8-9H2,(H,21,22)(H2,19,23,24)/b5-4+