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

Systemtic Name: 2-[[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-methyl-amino]methyl]-5-methyl-2-piperidin-1-ylcarbonyl-hexanoic acid Openeye Name: 2-[[[5-(dimethylamino)-1-naphthyl]sulfonyl-methyl-amino]methyl]-5-methyl-2-(piperidine-1-carbonyl)hexanoic acid CAS Name: 2-[[[5-(dimethylamino)-1-naphthalenyl]sulfonyl-methylamino]methyl]-5-methyl-2-[oxo(1-piperidinyl)methyl]hexanoic acid IUPAC Name: 2-[[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-methylamino]methyl]-5-methyl-2-(piperidine-1-carbonyl)hexanoic acid Traditional Name: 5-methyl-2-[[methyl(naphthionyl)amino]methyl]-2-(piperidine-1-carbonyl)hexanoic acid Formula: C27H39N3O5S MolecularWeight: 517.68066

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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)N3CCCCC3)C(=O)O

Isomeric SMILES

CC(C)CCC(CN(C)S(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C)(C(=O)N3CCCCC3)C(=O)O

InChI

InChI=1S/C27H39N3O5S/c1-20(2)15-16-27(26(32)33,25(31)30-17-7-6-8-18-30)19-29(5)36(34,35)24-14-10-11-21-22(24)12-9-13-23(21)28(3)4/h9-14,20H,6-8,15-19H2,1-5H3,(H,32,33)