[2-[cyclohexyl(methyl)amino]-2-oxidanylidene-ethyl] 2-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[cyclohexyl(methyl)amino]-2-oxidanylidene-ethyl] 2-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-[cyclohexyl(methyl)amino]-2-oxo-ethyl] 2-(1-piperidylsulfonyl)benzoate CAS Name: 2-(1-piperidinylsulfonyl)benzoic acid [2-[cyclohexyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-piperidinosulfonylbenzoic acid [2-[cyclohexyl(methyl)amino]-2-keto-ethyl] ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)COC(=O)C2=CC=CC=C2S(=O)(=O)N3CCCCC3

Isomeric SMILES

CN(C1CCCCC1)C(=O)COC(=O)C2=CC=CC=C2S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H30N2O5S/c1-22(17-10-4-2-5-11-17)20(24)16-28-21(25)18-12-6-7-13-19(18)29(26,27)23-14-8-3-9-15-23/h6-7,12-13,17H,2-5,8-11,14-16H2,1H3