Molecule ID: 115236

IUPAC Name: 2-[2,6-diethyl-N-(methoxymethyl)anilino]-2-oxoethanesulfonic acid

Description: The molecule is an organosulfonic acid that is 2-oxoethanesulfonic acid substituted by (2,6-diethylphenyl)(methoxymethyl)amino group at position 2. It is a metabolite of alachlor. It has a role as a marine xenobiotic metabolite. It is an organosulfonic acid, an ether and an aromatic amide.

SMILES: CCc1cccc(CC)c1N(COC)C(=O)CS(=O)(=O)O

SELFIES: [C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2][N][Branch1][Ring2][C][O][C][C][=Branch1][C][=O][C][S][=Branch1][C][=O][=Branch1][C][=O][O]

InChI: InChI=1S/C14H21NO5S/c1-4-11-7-6-8-12(5-2)14(11)15(10-20-3)13(16)9-21(17,18)19/h6-8H,4-5,9-10H2,1-3H3,(H,17,18,19)

Molecular Properties:
- Polar Surface Area: 92.3 Ų
- LogP: 1.8