3-[[4-[3-(3-bromophenyl)propanoylamino]phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-[[4-[3-(3-bromophenyl)propanoylamino]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-[3-(3-bromophenyl)propanoylamino]phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[[3-(3-bromophenyl)-1-oxopropyl]amino]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-[3-(3-bromophenyl)propanoylamino]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-[3-(3-bromophenyl)propanoylamino]phenyl]sulfonylamino]propionic acid Formula: C18H19BrN2O5S MolecularWeight: 455.32286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O

InChI

InChI=1S/C18H19BrN2O5S/c19-14-3-1-2-13(12-14)4-9-17(22)21-15-5-7-16(8-6-15)27(25,26)20-11-10-18(23)24/h1-3,5-8,12,20H,4,9-11H2,(H,21,22)(H,23,24)