methyl (2S)-1-piperidin-1-ium-4-ylcarbonyl-4-thiophen-2-ylsulfonyl-piperazine-2-carboxylate

Systemtic Name: methyl (2S)-1-piperidin-1-ium-4-ylcarbonyl-4-thiophen-2-ylsulfonyl-piperazine-2-carboxylate Openeye Name: methyl (2S)-1-(piperidin-1-ium-4-carbonyl)-4-(2-thienylsulfonyl)piperazine-2-carboxylate CAS Name: (2S)-1-[oxo(4-piperidin-1-iumyl)methyl]-4-thiophen-2-ylsulfonyl-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-(piperidin-1-ium-4-carbonyl)-4-thiophen-2-ylsulfonylpiperazine-2-carboxylate Traditional Name: (2S)-1-(piperidin-1-ium-4-carbonyl)-4-(2-thienylsulfonyl)piperazine-2-carboxylic acid methyl ester Formula: C16H24N3O5S2+ MolecularWeight: 402.50886

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCN1C(=O)C2CC[NH2+]CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)[C@@H]1CN(CCN1C(=O)C2CC[NH2+]CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C16H23N3O5S2/c1-24-16(21)13-11-18(26(22,23)14-3-2-10-25-14)8-9-19(13)15(20)12-4-6-17-7-5-12/h2-3,10,12-13,17H,4-9,11H2,1H3/p+1/t13-/m0/s1