2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-6-oxidanylidene-6-phenylmethoxy-hexanoic acid

Systemtic Name: 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-6-oxidanylidene-6-phenylmethoxy-hexanoic acid Openeye Name: 6-benzyloxy-2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]-6-oxo-hexanoic acid CAS Name: 2-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]-6-oxo-6-phenylmethoxyhexanoic acid IUPAC Name: 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-6-oxo-6-phenylmethoxyhexanoic acid Traditional Name: 6-benzoxy-6-keto-2-(naphthionylamino)hexanoic acid Formula: C25H28N2O6S MolecularWeight: 484.56462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC(CCCC(=O)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC(CCCC(=O)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H28N2O6S/c1-27(2)22-14-6-12-20-19(22)11-7-15-23(20)34(31,32)26-21(25(29)30)13-8-16-24(28)33-17-18-9-4-3-5-10-18/h3-7,9-12,14-15,21,26H,8,13,16-17H2,1-2H3,(H,29,30)