4-methylsulfonyloxy-3-(pyridin-4-ylcarbonylamino)azepane-1-carboxylic acid

Systemtic Name: 4-methylsulfonyloxy-3-(pyridin-4-ylcarbonylamino)azepane-1-carboxylic acid Openeye Name: 4-methylsulfonyloxy-3-(pyridine-4-carbonylamino)azepane-1-carboxylic acid CAS Name: 4-methylsulfonyloxy-3-[[oxo(pyridin-4-yl)methyl]amino]-1-azepanecarboxylic acid IUPAC Name: 4-methylsulfonyloxy-3-(pyridine-4-carbonylamino)azepane-1-carboxylic acid Traditional Name: 3-isonicotinamido-4-methylsulfonyloxy-azepane-1-carboxylic acid Formula: C14H19N3O6S MolecularWeight: 357.38216

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1CCCN(CC1NC(=O)C2=CC=NC=C2)C(=O)O

Isomeric SMILES

CS(=O)(=O)OC1CCCN(CC1NC(=O)C2=CC=NC=C2)C(=O)O

InChI

InChI=1S/C14H19N3O6S/c1-24(21,22)23-12-3-2-8-17(14(19)20)9-11(12)16-13(18)10-4-6-15-7-5-10/h4-7,11-12H,2-3,8-9H2,1H3,(H,16,18)(H,19,20)