methyl 1-[2-[(4-fluorophenyl)sulfonyl-(4-methylphenyl)amino]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(4-fluorophenyl)sulfonyl-(4-methylphenyl)amino]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(N-(4-fluorophenyl)sulfonyl-4-methyl-anilino)acetyl]piperidine-4-carboxylate CAS Name: 1-[2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(N-(4-fluorophenyl)sulfonyl-4-methyl-anilino)acetyl]isonipecotic acid methyl ester Formula: C22H25FN2O5S MolecularWeight: 448.507703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC(=O)N2CCC(CC2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)N(CC(=O)N2CCC(CC2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)F

InChI

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