[2-(hexylamino)-2-oxidanylidene-ethyl] 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: [2-(hexylamino)-2-oxidanylidene-ethyl] 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Openeye Name: [2-(hexylamino)-2-oxo-ethyl] 3-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 3-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzoic acid [2-(hexylamino)-2-oxoethyl] ester IUPAC Name: [2-(hexylamino)-2-oxoethyl] 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 3-[(2S)-2-methylpiperidino]sulfonylbenzoic 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=CC(=CC=C1)S(=O)(=O)N2CCCCC2C

Isomeric SMILES

CCCCCCNC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC[C@@H]2C

InChI

InChI=1S/C21H32N2O5S/c1-3-4-5-7-13-22-20(24)16-28-21(25)18-11-9-12-19(15-18)29(26,27)23-14-8-6-10-17(23)2/h9,11-12,15,17H,3-8,10,13-14,16H2,1-2H3,(H,22,24)/t17-/m0/s1