ethyl 4-[4-[(3-ethylphenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[(3-ethylphenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[[4-[(3-ethylphenyl)carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-[(3-ethylanilino)-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(3-ethylphenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[(3-ethylphenyl)carbamoyl]piperidino]sulfonylbenzoic acid ethyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C23H28N2O5S/c1-3-17-6-5-7-20(16-17)24-22(26)18-12-14-25(15-13-18)31(28,29)21-10-8-19(9-11-21)23(27)30-4-2/h5-11,16,18H,3-4,12-15H2,1-2H3,(H,24,26)