3-(4-bromophenyl)-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]butanoic acid

Systemtic Name: 3-(4-bromophenyl)-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]butanoic acid Openeye Name: 3-(4-bromophenyl)-4-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]butanoic acid CAS Name: 3-(4-bromophenyl)-4-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]butanoic acid IUPAC Name: 3-(4-bromophenyl)-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]butanoic acid Traditional Name: 3-(4-bromophenyl)-4-(naphthionylamino)butyric acid Formula: C22H23BrN2O4S MolecularWeight: 491.39802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCC(CC(=O)O)C3=CC=C(C=C3)Br

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCC(CC(=O)O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H23BrN2O4S/c1-25(2)20-7-3-6-19-18(20)5-4-8-21(19)30(28,29)24-14-16(13-22(26)27)15-9-11-17(23)12-10-15/h3-12,16,24H,13-14H2,1-2H3,(H,26,27)