[2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(cyclohexylcarbamoylamino)-2-oxo-ethyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [2-[[(cyclohexylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [2-(cyclohexylcarbamoylamino)-2-keto-ethyl] ester Formula: C22H31N3O6S MolecularWeight: 465.56304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NC2CCCCC2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NC2CCCCC2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H31N3O6S/c1-16-10-11-17(14-19(16)32(29,30)25-12-6-3-7-13-25)21(27)31-15-20(26)24-22(28)23-18-8-4-2-5-9-18/h10-11,14,18H,2-9,12-13,15H2,1H3,(H2,23,24,26,28)