[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C22H30N2O5S2 MolecularWeight: 466.614

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C22H30N2O5S2/c25-19(23-22-11-15-8-16(12-22)10-17(9-15)13-22)14-29-21(26)18-3-5-24(6-4-18)31(27,28)20-2-1-7-30-20/h1-2,7,15-18H,3-6,8-14H2,(H,23,25)