(2S)-3-(azepan-1-ylsulfonyl)-2-methyl-propanoate

Systemtic Name: (2S)-3-(azepan-1-ylsulfonyl)-2-methyl-propanoate Openeye Name: (2S)-3-(azepan-1-ylsulfonyl)-2-methyl-propanoate CAS Name: (2S)-3-(1-azepanylsulfonyl)-2-methylpropanoate IUPAC Name: (2S)-3-(azepan-1-ylsulfonyl)-2-methylpropanoate Traditional Name: (2S)-3-(azepan-1-ylsulfonyl)-2-methyl-propionate Formula: C10H18NO4S- MolecularWeight: 248.31922

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)(=O)N1CCCCCC1)C(=O)[O-]

Isomeric SMILES

C[C@H](CS(=O)(=O)N1CCCCCC1)C(=O)[O-]

InChI

InChI=1S/C10H19NO4S/c1-9(10(12)13)8-16(14,15)11-6-4-2-3-5-7-11/h9H,2-8H2,1H3,(H,12,13)/p-1/t9-/m1/s1