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

Systemtic Name: ethyl 4-[4-(2-phenylbutylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[[4-(2-phenylbutylcarbamoyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-[oxo-(2-phenylbutylamino)methyl]-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-phenylbutylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(2-phenylbutylcarbamoyl)piperidino]sulfonylbenzoic acid ethyl ester Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC)C3=CC=CC=C3

Isomeric SMILES

CCC(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC)C3=CC=CC=C3

InChI

InChI=1S/C25H32N2O5S/c1-3-19(20-8-6-5-7-9-20)18-26-24(28)21-14-16-27(17-15-21)33(30,31)23-12-10-22(11-13-23)25(29)32-4-2/h5-13,19,21H,3-4,14-18H2,1-2H3,(H,26,28)