methyl 2-[4-[1-(2-fluorophenyl)ethylcarbamoyl]piperidin-1-yl]sulfonylbenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1F)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC(C1=CC=CC=C1F)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

InChI

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