ethyl 4-[4-(2-ethylhexylcarbamoyl)piperidin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(2-ethylhexylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[[4-(2-ethylhexylcarbamoyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-[(2-ethylhexylamino)-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-ethylhexylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(2-ethylhexylcarbamoyl)piperidino]sulfonylbenzoic acid ethyl ester Formula: C23H36N2O5S MolecularWeight: 452.60734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCCCC(CC)CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C23H36N2O5S/c1-4-7-8-18(5-2)17-24-22(26)19-13-15-25(16-14-19)31(28,29)21-11-9-20(10-12-21)23(27)30-6-3/h9-12,18-19H,4-8,13-17H2,1-3H3,(H,24,26)