[2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxidanylidene-ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxidanylidene-ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxo-ethyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-keto-ethyl] ester Formula: C23H34N2O5S MolecularWeight: 450.59146

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)COC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C[C@@H]1CCC[C@H]([C@H]1C)NC(=O)COC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C23H34N2O5S/c1-16-8-7-9-20(18(16)3)24-22(26)15-30-23(27)19-11-10-17(2)21(14-19)31(28,29)25-12-5-4-6-13-25/h10-11,14,16,18,20H,4-9,12-13,15H2,1-3H3,(H,24,26)/t16-,18+,20-/m1/s1