2-[[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-ethyl-amino]methyl]-5-methyl-2-morpholin-4-ylcarbonyl-hexanoic acid

Systemtic Name: 2-[[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-ethyl-amino]methyl]-5-methyl-2-morpholin-4-ylcarbonyl-hexanoic acid Openeye Name: 2-[[[5-(dimethylamino)-1-naphthyl]sulfonyl-ethyl-amino]methyl]-5-methyl-2-(morpholine-4-carbonyl)hexanoic acid CAS Name: 2-[[[5-(dimethylamino)-1-naphthalenyl]sulfonyl-ethylamino]methyl]-5-methyl-2-[4-morpholinyl(oxo)methyl]hexanoic acid IUPAC Name: 2-[[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-ethylamino]methyl]-5-methyl-2-(morpholine-4-carbonyl)hexanoic acid Traditional Name: 2-[[ethyl(naphthionyl)amino]methyl]-5-methyl-2-(morpholine-4-carbonyl)hexanoic acid Formula: C27H39N3O6S MolecularWeight: 533.68006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(CCC(C)C)(C(=O)N1CCOCC1)C(=O)O)S(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C

Isomeric SMILES

CCN(CC(CCC(C)C)(C(=O)N1CCOCC1)C(=O)O)S(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C

InChI

InChI=1S/C27H39N3O6S/c1-6-30(37(34,35)24-12-8-9-21-22(24)10-7-11-23(21)28(4)5)19-27(26(32)33,14-13-20(2)3)25(31)29-15-17-36-18-16-29/h7-12,20H,6,13-19H2,1-5H3,(H,32,33)