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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)F)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCN(C1=CC=C(C=C1)F)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

InChI

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