(1S,2S)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)carbonylcyclohexane-1-carboxylic acid

Systemtic Name: (1S,2S)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)carbonylcyclohexane-1-carboxylic acid Openeye Name: (1S,2S)-2-[4-(2-thienylsulfonyl)piperazine-1-carbonyl]cyclohexanecarboxylic acid CAS Name: (1S,2S)-2-[oxo-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2S)-2-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid Traditional Name: (1S,2S)-2-[4-(2-thienylsulfonyl)piperazine-1-carbonyl]cyclohexanecarboxylic acid Formula: C16H22N2O5S2 MolecularWeight: 386.48628

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3)C(=O)O

Isomeric SMILES

C1CC[C@@H]([C@H](C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3)C(=O)O

InChI

InChI=1S/C16H22N2O5S2/c19-15(12-4-1-2-5-13(12)16(20)21)17-7-9-18(10-8-17)25(22,23)14-6-3-11-24-14/h3,6,11-13H,1-2,4-5,7-10H2,(H,20,21)/t12-,13-/m0/s1