[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 4-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[(2S)-2-methylpiperidino]sulfonylbenzoic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C20H30N2O5S MolecularWeight: 410.5276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O5S/c1-4-17(5-2)21-19(23)14-27-20(24)16-9-11-18(12-10-16)28(25,26)22-13-7-6-8-15(22)3/h9-12,15,17H,4-8,13-14H2,1-3H3,(H,21,23)/t15-/m0/s1