methyl 4-[[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate CAS Name: 4-[[[1-[(2-fluorophenyl)methylsulfonyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-(2-fluorobenzyl)sulfonylisonipecotoyl]amino]benzoic acid methyl ester Formula: C21H23FN2O5S MolecularWeight: 434.481123

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3F

InChI

InChI=1S/C21H23FN2O5S/c1-29-21(26)16-6-8-18(9-7-16)23-20(25)15-10-12-24(13-11-15)30(27,28)14-17-4-2-3-5-19(17)22/h2-9,15H,10-14H2,1H3,(H,23,25)