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

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate Openeye Name: [2-(benzylamino)-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-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate Traditional Name: 1-piazthiol-4-ylsulfonylpipecolinic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C21H22N4O5S2 MolecularWeight: 474.55318

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCC(=O)NCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C1CCN(C(C1)C(=O)OCC(=O)NCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C21H22N4O5S2/c26-19(22-13-15-7-2-1-3-8-15)14-30-21(27)17-10-4-5-12-25(17)32(28,29)18-11-6-9-16-20(18)24-31-23-16/h1-3,6-9,11,17H,4-5,10,12-14H2,(H,22,26)