methyl 2-[4-[(3-fluorophenyl)methylcarbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-[(3-fluorophenyl)methylcarbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[(3-fluorophenyl)methylcarbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[[(3-fluorophenyl)methylamino]-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(3-fluorophenyl)methylcarbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[(3-fluorobenzyl)carbamoyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C21H23FN2O5S MolecularWeight: 434.481123

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC(=CC=C3)F

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC(=CC=C3)F

InChI

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