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

Systemtic Name: 2-[[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-methyl-amino]methyl]-5-methyl-2-morpholin-4-ylcarbonyl-hexanoic acid Openeye Name: 2-[[[5-(dimethylamino)-1-naphthyl]sulfonyl-methyl-amino]methyl]-5-methyl-2-(morpholine-4-carbonyl)hexanoic acid CAS Name: 2-[[[5-(dimethylamino)-1-naphthalenyl]sulfonyl-methylamino]methyl]-5-methyl-2-[4-morpholinyl(oxo)methyl]hexanoic acid IUPAC Name: 2-[[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-methylamino]methyl]-5-methyl-2-(morpholine-4-carbonyl)hexanoic acid Traditional Name: 5-methyl-2-[[methyl(naphthionyl)amino]methyl]-2-(morpholine-4-carbonyl)hexanoic acid Formula: C26H37N3O6S MolecularWeight: 519.65348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CN(C)S(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C)(C(=O)N3CCOCC3)C(=O)O

Isomeric SMILES

CC(C)CCC(CN(C)S(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C)(C(=O)N3CCOCC3)C(=O)O

InChI

InChI=1S/C26H37N3O6S/c1-19(2)12-13-26(25(31)32,24(30)29-14-16-35-17-15-29)18-28(5)36(33,34)23-11-7-8-20-21(23)9-6-10-22(20)27(3)4/h6-11,19H,12-18H2,1-5H3,(H,31,32)