(1R,2S)-2-[4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]carbonylcyclohexane-1-carboxylate

Systemtic Name: (1R,2S)-2-[4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]carbonylcyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-[4-(4-isobutylphenyl)sulfonylpiperazine-1-carbonyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[[4-[4-(2-methylpropyl)phenyl]sulfonyl-1-piperazinyl]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-[4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine-1-carbonyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[4-(4-isobutylphenyl)sulfonylpiperazine-1-carbonyl]cyclohexanecarboxylate Formula: C22H31N2O5S- MolecularWeight: 435.55694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O5S/c1-16(2)15-17-7-9-18(10-8-17)30(28,29)24-13-11-23(12-14-24)21(25)19-5-3-4-6-20(19)22(26)27/h7-10,16,19-20H,3-6,11-15H2,1-2H3,(H,26,27)/p-1/t19-,20+/m0/s1