2-methyl-12-[methyl(phenylsulfonyl)amino]dodecanoic acid

Systemtic Name: 2-methyl-12-[methyl(phenylsulfonyl)amino]dodecanoic acid Openeye Name: 12-[benzenesulfonyl(methyl)amino]-2-methyl-dodecanoic acid CAS Name: 12-[benzenesulfonyl(methyl)amino]-2-methyldodecanoic acid IUPAC Name: 12-[benzenesulfonyl(methyl)amino]-2-methyldodecanoic acid Traditional Name: 12-[besyl(methyl)amino]-2-methyl-lauric acid Formula: C20H33NO4S MolecularWeight: 383.54532

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCCCCCN(C)S(=O)(=O)C1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(CCCCCCCCCCN(C)S(=O)(=O)C1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C20H33NO4S/c1-18(20(22)23)14-10-7-5-3-4-6-8-13-17-21(2)26(24,25)19-15-11-9-12-16-19/h9,11-12,15-16,18H,3-8,10,13-14,17H2,1-2H3,(H,22,23)