(1S,2S)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonylcyclohexane-1-carboxylic acid

Systemtic Name: (1S,2S)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonylcyclohexane-1-carboxylic acid Openeye Name: (1S,2S)-2-[4-(p-tolylsulfonyl)piperazine-1-carbonyl]cyclohexanecarboxylic acid CAS Name: (1S,2S)-2-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2S)-2-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]cyclohexane-1-carboxylic acid Traditional Name: (1S,2S)-2-(4-tosylpiperazine-1-carbonyl)cyclohexanecarboxylic acid Formula: C19H26N2O5S MolecularWeight: 394.48514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CCCCC3C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)[C@H]3CCCC[C@@H]3C(=O)O

InChI

InChI=1S/C19H26N2O5S/c1-14-6-8-15(9-7-14)27(25,26)21-12-10-20(11-13-21)18(22)16-4-2-3-5-17(16)19(23)24/h6-9,16-17H,2-5,10-13H2,1H3,(H,23,24)/t16-,17-/m0/s1