methyl 2-(azepan-1-ylsulfonylamino)-2-methyl-pentanoate

Systemtic Name: methyl 2-(azepan-1-ylsulfonylamino)-2-methyl-pentanoate Openeye Name: methyl 2-(azepan-1-ylsulfonylamino)-2-methyl-pentanoate CAS Name: 2-(1-azepanylsulfonylamino)-2-methylpentanoic acid methyl ester IUPAC Name: methyl 2-(azepan-1-ylsulfonylamino)-2-methylpentanoate Traditional Name: 2-(azepan-1-ylsulfonylamino)-2-methyl-valeric acid methyl ester Formula: C13H26N2O4S MolecularWeight: 306.42154

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)OC)NS(=O)(=O)N1CCCCCC1

Isomeric SMILES

CCCC(C)(C(=O)OC)NS(=O)(=O)N1CCCCCC1

InChI

InChI=1S/C13H26N2O4S/c1-4-9-13(2,12(16)19-3)14-20(17,18)15-10-7-5-6-8-11-15/h14H,4-11H2,1-3H3