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

Systemtic Name: ethyl 4-[4-[(2-ethylphenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[[4-[(2-ethylphenyl)carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-[(2-ethylanilino)-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(2-ethylphenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[(2-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=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)OCC

InChI

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