methyl 2-(azepan-1-ylsulfonylamino)-4-methyl-pentanoate

Systemtic Name: methyl 2-(azepan-1-ylsulfonylamino)-4-methyl-pentanoate Openeye Name: methyl 2-(azepan-1-ylsulfonylamino)-4-methyl-pentanoate CAS Name: 2-(1-azepanylsulfonylamino)-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-(azepan-1-ylsulfonylamino)-4-methylpentanoate Traditional Name: 2-(azepan-1-ylsulfonylamino)-4-methyl-valeric acid methyl ester Formula: C13H26N2O4S MolecularWeight: 306.42154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H26N2O4S/c1-11(2)10-12(13(16)19-3)14-20(17,18)15-8-6-4-5-7-9-15/h11-12,14H,4-10H2,1-3H3