3-[2,3-bis(bromanyl)propylsulfanyl]-4-(phenylmethyl)-5-sulfamoyl-benzoic acid

Systemtic Name: 3-[2,3-bis(bromanyl)propylsulfanyl]-4-(phenylmethyl)-5-sulfamoyl-benzoic acid Openeye Name: 4-benzyl-3-(2,3-dibromopropylsulfanyl)-5-sulfamoyl-benzoic acid CAS Name: 3-(2,3-dibromopropylthio)-4-(phenylmethyl)-5-sulfamoylbenzoic acid IUPAC Name: 4-benzyl-3-(2,3-dibromopropylsulfanyl)-5-sulfamoylbenzoic acid Traditional Name: 4-benzyl-3-(2,3-dibromopropylthio)-5-sulfamoyl-benzoic acid Formula: C17H17Br2NO4S2 MolecularWeight: 523.25918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)SCC(CBr)Br

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)SCC(CBr)Br

InChI

InChI=1S/C17H17Br2NO4S2/c18-9-13(19)10-25-15-7-12(17(21)22)8-16(26(20,23)24)14(15)6-11-4-2-1-3-5-11/h1-5,7-8,13H,6,9-10H2,(H,21,22)(H2,20,23,24)