[2-[(1-methylpyrrol-2-yl)carbonylamino]-2-oxidanylidene-ethyl] (2R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate

Systemtic Name: [2-[(1-methylpyrrol-2-yl)carbonylamino]-2-oxidanylidene-ethyl] (2R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate Openeye Name: [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxo-ethyl] (2R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate CAS Name: (2R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-piperidinecarboxylic acid [2-[[(1-methyl-2-pyrrolyl)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] (2R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate Traditional Name: (2R)-1-piazthiol-4-ylsulfonylpipecolinic acid [2-keto-2-[(1-methylpyrrole-2-carbonyl)amino]ethyl] ester Formula: C20H21N5O6S2 MolecularWeight: 491.54064

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)NC(=O)COC(=O)C2CCCCN2S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CN1C=CC=C1C(=O)NC(=O)COC(=O)[C@H]2CCCCN2S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C20H21N5O6S2/c1-24-10-5-8-14(24)19(27)21-17(26)12-31-20(28)15-7-2-3-11-25(15)33(29,30)16-9-4-6-13-18(16)23-32-22-13/h4-6,8-10,15H,2-3,7,11-12H2,1H3,(H,21,26,27)/t15-/m1/s1