1-[[1,1-bis(oxidanylidene)thian-4-yl]carbamoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[[1,1-bis(oxidanylidene)thian-4-yl]carbamoyl]piperidine-3-carboxylic acid Openeye Name: 1-[(1,1-dioxothian-4-yl)carbamoyl]piperidine-3-carboxylic acid CAS Name: 1-[[(1,1-dioxo-4-thianyl)amino]-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(1,1-dioxothian-4-yl)carbamoyl]piperidine-3-carboxylic acid Traditional Name: 1-[(1,1-diketothian-4-yl)carbamoyl]nipecotic acid Formula: C12H20N2O5S MolecularWeight: 304.3626

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)NC2CCS(=O)(=O)CC2)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)NC2CCS(=O)(=O)CC2)C(=O)O

InChI

InChI=1S/C12H20N2O5S/c15-11(16)9-2-1-5-14(8-9)12(17)13-10-3-6-20(18,19)7-4-10/h9-10H,1-8H2,(H,13,17)(H,15,16)