[1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl] 1-(2-cyanophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl] 1-(2-cyanophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: 1-[(4-fluorophenyl)carbamoyl]propyl 1-(2-cyanophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2-cyanophenyl)sulfonyl-4-piperidinecarboxylic acid [1-(4-fluoroanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(4-fluoroanilino)-1-oxobutan-2-yl] 1-(2-cyanophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-cyanophenyl)sulfonylisonipecotic acid 1-[(4-fluorophenyl)carbamoyl]propyl ester Formula: C23H24FN3O5S MolecularWeight: 473.517163

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)F)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)F)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C23H24FN3O5S/c1-2-20(22(28)26-19-9-7-18(24)8-10-19)32-23(29)16-11-13-27(14-12-16)33(30,31)21-6-4-3-5-17(21)15-25/h3-10,16,20H,2,11-14H2,1H3,(H,26,28)