2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-(prop-2-enoxycarbonylamino)hexanoic acid

Systemtic Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-(prop-2-enoxycarbonylamino)hexanoic acid Openeye Name: 6-(allyloxycarbonylamino)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]hexanoic acid CAS Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-[[oxo(prop-2-enoxy)methyl]amino]hexanoic acid IUPAC Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-(prop-2-enoxycarbonylamino)hexanoic acid Traditional Name: 6-(allyloxycarbonylamino)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]hexanoic acid Formula: C22H25BrN2O6S MolecularWeight: 525.4127

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)NCCCCC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)Br

Isomeric SMILES

C=CCOC(=O)NCCCCC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C22H25BrN2O6S/c1-2-15-31-22(28)24-14-4-3-5-20(21(26)27)25-32(29,30)19-12-8-17(9-13-19)16-6-10-18(23)11-7-16/h2,6-13,20,25H,1,3-5,14-15H2,(H,24,28)(H,26,27)