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

Systemtic Name: ethyl 4-[4-(hexylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[[4-(hexylcarbamoyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-[(hexylamino)-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(hexylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(hexylcarbamoyl)piperidino]sulfonylbenzoic acid ethyl ester Formula: C21H32N2O5S MolecularWeight: 424.55418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O5S/c1-3-5-6-7-14-22-20(24)17-12-15-23(16-13-17)29(26,27)19-10-8-18(9-11-19)21(25)28-4-2/h8-11,17H,3-7,12-16H2,1-2H3,(H,22,24)