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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)F)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CN(CC1=CC=C(C=C1)F)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C22H25FN2O5S/c1-24(15-16-7-9-18(23)10-8-16)21(26)17-11-13-25(14-12-17)31(28,29)20-6-4-3-5-19(20)22(27)30-2/h3-10,17H,11-15H2,1-2H3