1-azanyl-2-(2-methylsulfonylpiperazin-1-yl)carbonyl-cyclohexane-1-carboxylic acid

Systemtic Name: 1-azanyl-2-(2-methylsulfonylpiperazin-1-yl)carbonyl-cyclohexane-1-carboxylic acid Openeye Name: 1-amino-2-(2-methylsulfonylpiperazine-1-carbonyl)cyclohexanecarboxylic acid CAS Name: 1-amino-2-[(2-methylsulfonyl-1-piperazinyl)-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-amino-2-(2-methylsulfonylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid Traditional Name: 1-amino-2-(2-mesylpiperazine-1-carbonyl)cyclohexanecarboxylic acid Formula: C13H23N3O5S MolecularWeight: 333.40382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1CNCCN1C(=O)C2CCCCC2(C(=O)O)N

Isomeric SMILES

CS(=O)(=O)C1CNCCN1C(=O)C2CCCCC2(C(=O)O)N

InChI

InChI=1S/C13H23N3O5S/c1-22(20,21)10-8-15-6-7-16(10)11(17)9-4-2-3-5-13(9,14)12(18)19/h9-10,15H,2-8,14H2,1H3,(H,18,19)