(1R,2S)-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]carbonylcyclohexane-1-carboxylic acid

Systemtic Name: (1R,2S)-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]carbonylcyclohexane-1-carboxylic acid Openeye Name: (1R,2S)-2-[4-(4-tert-butylphenyl)sulfonylpiperazine-1-carbonyl]cyclohexanecarboxylic acid CAS Name: (1R,2S)-2-[[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1R,2S)-2-[4-(4-tert-butylphenyl)sulfonylpiperazine-1-carbonyl]cyclohexane-1-carboxylic acid Traditional Name: (1R,2S)-2-[4-(4-tert-butylphenyl)sulfonylpiperazine-1-carbonyl]cyclohexanecarboxylic acid Formula: C22H32N2O5S MolecularWeight: 436.56488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O5S/c1-22(2,3)16-8-10-17(11-9-16)30(28,29)24-14-12-23(13-15-24)20(25)18-6-4-5-7-19(18)21(26)27/h8-11,18-19H,4-7,12-15H2,1-3H3,(H,26,27)/t18-,19+/m0/s1