[2-oxidanylidene-2-(pentylamino)ethyl] 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(pentylamino)ethyl] 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Openeye Name: [2-oxo-2-(pentylamino)ethyl] 4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid [2-oxo-2-(pentylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentylamino)ethyl] 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[(3R,5R)-3,5-dimethylpiperidino]sulfonylbenzoic acid [2-(amylamino)-2-keto-ethyl] ester Formula: C21H32N2O5S MolecularWeight: 424.55418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC(CC(C2)C)C

Isomeric SMILES

CCCCCNC(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2C[C@@H](C[C@H](C2)C)C

InChI

InChI=1S/C21H32N2O5S/c1-4-5-6-11-22-20(24)15-28-21(25)18-7-9-19(10-8-18)29(26,27)23-13-16(2)12-17(3)14-23/h7-10,16-17H,4-6,11-15H2,1-3H3,(H,22,24)/t16-,17-/m1/s1