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

Systemtic Name: ethyl 4-[4-[(2-fluorophenyl)methylcarbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[[4-[(2-fluorophenyl)methylcarbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-[[(2-fluorophenyl)methylamino]-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(2-fluorophenyl)methylcarbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[(2-fluorobenzyl)carbamoyl]piperidino]sulfonylbenzoic acid ethyl ester Formula: C22H25FN2O5S MolecularWeight: 448.507703

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3F

InChI

InChI=1S/C22H25FN2O5S/c1-2-30-22(27)17-7-9-19(10-8-17)31(28,29)25-13-11-16(12-14-25)21(26)24-15-18-5-3-4-6-20(18)23/h3-10,16H,2,11-15H2,1H3,(H,24,26)