methyl (3S)-1-[(2R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidin-2-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: methyl (3S)-1-[(2R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidin-2-yl]carbonylpiperidine-3-carboxylate Openeye Name: methyl (3S)-1-[(2R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidine-2-carbonyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[(2R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-pyrrolidinyl]-oxomethyl]-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (3S)-1-[(2R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidine-2-carbonyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(2R)-1-piazthiol-4-ylsulfonylprolyl]nipecotic acid methyl ester Formula: C18H22N4O5S2 MolecularWeight: 438.52108

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN(C1)C(=O)C2CCCN2S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

COC(=O)[C@H]1CCCN(C1)C(=O)[C@H]2CCCN2S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C18H22N4O5S2/c1-27-18(24)12-5-3-9-21(11-12)17(23)14-7-4-10-22(14)29(25,26)15-8-2-6-13-16(15)20-28-19-13/h2,6,8,12,14H,3-5,7,9-11H2,1H3/t12-,14+/m0/s1