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

Systemtic Name: [2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(cyclohexylmethylamino)-2-oxo-ethyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [2-(cyclohexylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylmethylamino)-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [2-(cyclohexylmethylamino)-2-keto-ethyl] ester Formula: C22H32N2O5S MolecularWeight: 436.56488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2CCCCC2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2CCCCC2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H32N2O5S/c1-17-10-11-19(14-20(17)30(27,28)24-12-6-3-7-13-24)22(26)29-16-21(25)23-15-18-8-4-2-5-9-18/h10-11,14,18H,2-9,12-13,15-16H2,1H3,(H,23,25)