(1S,6R)-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)carbonylcyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,6R)-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)carbonylcyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6R)-6-[4-(2-thienylsulfonyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6R)-6-[oxo-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6R)-6-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6R)-6-[4-(2-thienylsulfonyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid Formula: C16H20N2O5S2 MolecularWeight: 384.4704

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2CC=CCC2C(=O)O)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C16H20N2O5S2/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/h1-3,6,11-13H,4-5,7-10H2,(H,20,21)/t12-,13+/m1/s1