1-(3-methylsulfonylpropanoylamino)cycloheptane-1-carboxylic acid

Systemtic Name: 1-(3-methylsulfonylpropanoylamino)cycloheptane-1-carboxylic acid Openeye Name: 1-(3-methylsulfonylpropanoylamino)cycloheptanecarboxylic acid CAS Name: 1-[(3-methylsulfonyl-1-oxopropyl)amino]-1-cycloheptanecarboxylic acid IUPAC Name: 1-(3-methylsulfonylpropanoylamino)cycloheptane-1-carboxylic acid Traditional Name: 1-(3-mesylpropanoylamino)cycloheptanecarboxylic acid Formula: C12H21NO5S MolecularWeight: 291.36384

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(=O)NC1(CCCCCC1)C(=O)O

Isomeric SMILES

CS(=O)(=O)CCC(=O)NC1(CCCCCC1)C(=O)O

InChI

InChI=1S/C12H21NO5S/c1-19(17,18)9-6-10(14)13-12(11(15)16)7-4-2-3-5-8-12/h2-9H2,1H3,(H,13,14)(H,15,16)