[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate CAS Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-piperidinecarboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate Traditional Name: 1-piazthiol-4-ylsulfonylpipecolinic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C24H30N4O5S2 MolecularWeight: 518.6488

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=CC6=NSN=C65

Isomeric SMILES

C1CCN(C(C1)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=CC6=NSN=C65

InChI

InChI=1S/C24H30N4O5S2/c29-21(25-24-11-15-8-16(12-24)10-17(9-15)13-24)14-33-23(30)19-5-1-2-7-28(19)35(31,32)20-6-3-4-18-22(20)27-34-26-18/h3-4,6,15-17,19H,1-2,5,7-14H2,(H,25,29)