ethyl 4-[4-(pentylcarbamoyl)piperidin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(pentylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[[4-(pentylcarbamoyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-[oxo-(pentylamino)methyl]-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(pentylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(amylcarbamoyl)piperidino]sulfonylbenzoic acid ethyl ester Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCCCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C20H30N2O5S/c1-3-5-6-13-21-19(23)16-11-14-22(15-12-16)28(25,26)18-9-7-17(8-10-18)20(24)27-4-2/h7-10,16H,3-6,11-15H2,1-2H3,(H,21,23)