[2-(hexylamino)-2-oxidanylidene-ethyl] 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(hexylamino)-2-oxidanylidene-ethyl] 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(hexylamino)-2-oxo-ethyl] 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid [2-(hexylamino)-2-oxoethyl] ester IUPAC Name: [2-(hexylamino)-2-oxoethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid [2-(hexylamino)-2-keto-ethyl] ester Formula: C21H32N2O5S MolecularWeight: 424.55418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)C

Isomeric SMILES

CCCCCCNC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)C

InChI

InChI=1S/C21H32N2O5S/c1-3-4-5-7-12-22-20(24)16-28-21(25)19-15-18(11-10-17(19)2)29(26,27)23-13-8-6-9-14-23/h10-11,15H,3-9,12-14,16H2,1-2H3,(H,22,24)