ethyl 4-[4-[(2-fluoranyl-5-methyl-phenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[(2-fluoranyl-5-methyl-phenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[[4-[(2-fluoro-5-methyl-phenyl)carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-[(2-fluoro-5-methylanilino)-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(2-fluoro-5-methylphenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[(2-fluoro-5-methyl-phenyl)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)NC3=C(C=CC(=C3)C)F

Isomeric SMILES

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

InChI

InChI=1S/C22H25FN2O5S/c1-3-30-22(27)17-5-7-18(8-6-17)31(28,29)25-12-10-16(11-13-25)21(26)24-20-14-15(2)4-9-19(20)23/h4-9,14,16H,3,10-13H2,1-2H3,(H,24,26)