3-[4-[2-[(4-bromophenyl)sulfonylamino]hexanoylamino]phenyl]propanoic acid

Systemtic Name: 3-[4-[2-[(4-bromophenyl)sulfonylamino]hexanoylamino]phenyl]propanoic acid Openeye Name: 3-[4-[2-[(4-bromophenyl)sulfonylamino]hexanoylamino]phenyl]propanoic acid CAS Name: 3-[4-[[2-[(4-bromophenyl)sulfonylamino]-1-oxohexyl]amino]phenyl]propanoic acid IUPAC Name: 3-[4-[2-[(4-bromophenyl)sulfonylamino]hexanoylamino]phenyl]propanoic acid Traditional Name: 3-[4-[2-(brosylamino)hexanoylamino]phenyl]propionic acid Formula: C21H25BrN2O5S MolecularWeight: 497.4026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC1=CC=C(C=C1)CCC(=O)O)NS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCCCC(C(=O)NC1=CC=C(C=C1)CCC(=O)O)NS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C21H25BrN2O5S/c1-2-3-4-19(24-30(28,29)18-12-8-16(22)9-13-18)21(27)23-17-10-5-15(6-11-17)7-14-20(25)26/h5-6,8-13,19,24H,2-4,7,14H2,1H3,(H,23,27)(H,25,26)