methyl (2S)-4-thiophen-2-ylsulfonylpiperazin-1-ium-2-carboxylate

Systemtic Name: methyl (2S)-4-thiophen-2-ylsulfonylpiperazin-1-ium-2-carboxylate Openeye Name: methyl (2S)-4-(2-thienylsulfonyl)piperazin-1-ium-2-carboxylate CAS Name: (2S)-4-thiophen-2-ylsulfonyl-2-piperazin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S)-4-thiophen-2-ylsulfonylpiperazin-1-ium-2-carboxylate Traditional Name: (2S)-4-(2-thienylsulfonyl)piperazin-1-ium-2-carboxylic acid methyl ester Formula: C10H15N2O4S2+ MolecularWeight: 291.3671

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CC[NH2+]1)S(=O)(=O)C2=CC=CS2

Isomeric SMILES

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

InChI

InChI=1S/C10H14N2O4S2/c1-16-10(13)8-7-12(5-4-11-8)18(14,15)9-3-2-6-17-9/h2-3,6,8,11H,4-5,7H2,1H3/p+1/t8-/m0/s1