2-[[2,5-bis(bromanyl)phenyl]sulfonyl-butyl-amino]benzoic acid

Systemtic Name: 2-[[2,5-bis(bromanyl)phenyl]sulfonyl-butyl-amino]benzoic acid Openeye Name: 2-[butyl-(2,5-dibromophenyl)sulfonyl-amino]benzoic acid CAS Name: 2-[butyl-(2,5-dibromophenyl)sulfonylamino]benzoic acid IUPAC Name: 2-[butyl-(2,5-dibromophenyl)sulfonylamino]benzoic acid Traditional Name: 2-[butyl-(2,5-dibromophenyl)sulfonyl-amino]benzoic acid Formula: C17H17Br2NO4S MolecularWeight: 491.19418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=CC=C1C(=O)O)S(=O)(=O)C2=C(C=CC(=C2)Br)Br

Isomeric SMILES

CCCCN(C1=CC=CC=C1C(=O)O)S(=O)(=O)C2=C(C=CC(=C2)Br)Br

InChI

InChI=1S/C17H17Br2NO4S/c1-2-3-10-20(15-7-5-4-6-13(15)17(21)22)25(23,24)16-11-12(18)8-9-14(16)19/h4-9,11H,2-3,10H2,1H3,(H,21,22)