3-(dimethylamino)-5,5,6,6-tetramethyl-1-methylsulfonyl-azepane-2-carboxylic acid

Systemtic Name: 3-(dimethylamino)-5,5,6,6-tetramethyl-1-methylsulfonyl-azepane-2-carboxylic acid Openeye Name: 3-(dimethylamino)-5,5,6,6-tetramethyl-1-methylsulfonyl-azepane-2-carboxylic acid CAS Name: 3-(dimethylamino)-5,5,6,6-tetramethyl-1-methylsulfonyl-2-azepanecarboxylic acid IUPAC Name: 3-(dimethylamino)-5,5,6,6-tetramethyl-1-methylsulfonylazepane-2-carboxylic acid Traditional Name: 3-(dimethylamino)-1-mesyl-5,5,6,6-tetramethyl-azepane-2-carboxylic acid Formula: C14H28N2O4S MolecularWeight: 320.44812

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C(N(CC1(C)C)S(=O)(=O)C)C(=O)O)N(C)C)C

Isomeric SMILES

CC1(CC(C(N(CC1(C)C)S(=O)(=O)C)C(=O)O)N(C)C)C

InChI

InChI=1S/C14H28N2O4S/c1-13(2)8-10(15(5)6)11(12(17)18)16(21(7,19)20)9-14(13,3)4/h10-11H,8-9H2,1-7H3,(H,17,18)