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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCN1S(=O)(=O)C2=CC=CS2)C(=O)C3CC[NH2+]CC3

Isomeric SMILES

COC(=O)[C@@H]1CN(CCN1S(=O)(=O)C2=CC=CS2)C(=O)C3CC[NH2+]CC3

InChI

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