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

Systemtic Name: ethyl 4-[4-(butylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[[4-(butylcarbamoyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-[butylamino(oxo)methyl]-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(butylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(butylcarbamoyl)piperidino]sulfonylbenzoic acid ethyl ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O5S/c1-3-5-12-20-18(22)15-10-13-21(14-11-15)27(24,25)17-8-6-16(7-9-17)19(23)26-4-2/h6-9,15H,3-5,10-14H2,1-2H3,(H,20,22)