2-[[4-[4-(3-bromanylphenoxy)butanoylamino]phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[4-[4-(3-bromanylphenoxy)butanoylamino]phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-[4-(3-bromophenoxy)butanoylamino]phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[[4-(3-bromophenoxy)-1-oxobutyl]amino]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-[4-(3-bromophenoxy)butanoylamino]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-[4-(3-bromophenoxy)butanoylamino]phenyl]sulfonylamino]acetic acid Formula: C18H19BrN2O6S MolecularWeight: 471.32226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)OCCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)OCCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O

InChI

InChI=1S/C18H19BrN2O6S/c19-13-3-1-4-15(11-13)27-10-2-5-17(22)21-14-6-8-16(9-7-14)28(25,26)20-12-18(23)24/h1,3-4,6-9,11,20H,2,5,10,12H2,(H,21,22)(H,23,24)