[2-[(3-azanyl-3-oxidanylidene-propyl)-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[(3-azanyl-3-oxidanylidene-propyl)-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(N-(3-amino-3-oxo-propyl)-4-fluoro-anilino)-2-oxo-ethyl] 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid [2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid [2-(N-(3-amino-3-keto-propyl)-4-fluoro-anilino)-2-keto-ethyl] ester Formula: C22H25FN4O6S MolecularWeight: 492.520503

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)N(CCC(=O)N)C2=CC=C(C=C2)F)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)N(CCC(=O)N)C2=CC=C(C=C2)F)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C22H25FN4O6S/c23-17-3-5-18(6-4-17)27(13-9-20(24)28)21(29)15-33-22(30)16-7-11-26(12-8-16)34(31,32)19-2-1-10-25-14-19/h1-6,10,14,16H,7-9,11-13,15H2,(H2,24,28)