[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] (2S)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate

Systemtic Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] (2S)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate Openeye Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl] (2S)-1-(p-tolylsulfonyl)piperidine-2-carboxylate CAS Name: (2S)-1-(4-methylphenyl)sulfonyl-2-piperidinecarboxylic acid [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] (2S)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate Traditional Name: (2S)-1-tosylpipecolinic acid [2-keto-2-(piazthiol-4-ylamino)ethyl] ester Formula: C21H22N4O5S2 MolecularWeight: 474.55318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)OCC(=O)NC3=CC=CC4=NSN=C43

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC[C@H]2C(=O)OCC(=O)NC3=CC=CC4=NSN=C43

InChI

InChI=1S/C21H22N4O5S2/c1-14-8-10-15(11-9-14)32(28,29)25-12-3-2-7-18(25)21(27)30-13-19(26)22-16-5-4-6-17-20(16)24-31-23-17/h4-6,8-11,18H,2-3,7,12-13H2,1H3,(H,22,26)/t18-/m0/s1