methyl (2S)-1-pyridin-3-ylcarbonyl-4-thiophen-2-ylsulfonyl-piperazine-2-carboxylate

Systemtic Name: methyl (2S)-1-pyridin-3-ylcarbonyl-4-thiophen-2-ylsulfonyl-piperazine-2-carboxylate Openeye Name: methyl (2S)-1-(pyridine-3-carbonyl)-4-(2-thienylsulfonyl)piperazine-2-carboxylate CAS Name: (2S)-1-[oxo(3-pyridinyl)methyl]-4-thiophen-2-ylsulfonyl-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-(pyridine-3-carbonyl)-4-thiophen-2-ylsulfonylpiperazine-2-carboxylate Traditional Name: (2S)-1-nicotinoyl-4-(2-thienylsulfonyl)piperazine-2-carboxylic acid methyl ester Formula: C16H17N3O5S2 MolecularWeight: 395.45328

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCN1C(=O)C2=CN=CC=C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)[C@@H]1CN(CCN1C(=O)C2=CN=CC=C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C16H17N3O5S2/c1-24-16(21)13-11-18(26(22,23)14-5-3-9-25-14)7-8-19(13)15(20)12-4-2-6-17-10-12/h2-6,9-10,13H,7-8,11H2,1H3/t13-/m0/s1