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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CCCCC3C(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)[C@H]3CCCC[C@H]3C(=O)O

InChI

InChI=1S/C22H32N2O5S/c1-2-3-6-17-9-11-18(12-10-17)30(28,29)24-15-13-23(14-16-24)21(25)19-7-4-5-8-20(19)22(26)27/h9-12,19-20H,2-8,13-16H2,1H3,(H,26,27)/t19-,20+/m0/s1