(2S)-3-(azepan-1-ylsulfonyl)-2-methyl-propanoic acid

Systemtic Name: (2S)-3-(azepan-1-ylsulfonyl)-2-methyl-propanoic acid Openeye Name: (2S)-3-(azepan-1-ylsulfonyl)-2-methyl-propanoic acid CAS Name: (2S)-3-(1-azepanylsulfonyl)-2-methylpropanoic acid IUPAC Name: (2S)-3-(azepan-1-ylsulfonyl)-2-methylpropanoic acid Traditional Name: (2S)-3-(azepan-1-ylsulfonyl)-2-methyl-propionic acid Formula: C10H19NO4S MolecularWeight: 249.32716

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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)/t9-/m1/s1