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

Systemtic Name: ethyl 4-[4-(2-diethylaminoethylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[[4-(2-diethylaminoethylcarbamoyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-[(2-diethylaminoethylamino)-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-diethylaminoethylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(2-diethylaminoethylcarbamoyl)piperidino]sulfonylbenzoic acid ethyl ester Formula: C21H33N3O5S MolecularWeight: 439.56882

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCN(CC)CCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C21H33N3O5S/c1-4-23(5-2)16-13-22-20(25)17-11-14-24(15-12-17)30(27,28)19-9-7-18(8-10-19)21(26)29-6-3/h7-10,17H,4-6,11-16H2,1-3H3,(H,22,25)