ethyl 4-[4-[(3-fluorophenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C21H23FN2O5S/c1-2-29-21(26)16-6-8-19(9-7-16)30(27,28)24-12-10-15(11-13-24)20(25)23-18-5-3-4-17(22)14-18/h3-9,14-15H,2,10-13H2,1H3,(H,23,25)