ethyl 4-[(2-fluoranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(2-fluoranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[(2-fluoro-5-pyrrolidin-1-ylsulfonyl-benzoyl)amino]piperidine-1-carboxylate CAS Name: 4-[[[2-fluoro-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-fluoro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]piperidine-1-carboxylate Traditional Name: 4-[(2-fluoro-5-pyrrolidinosulfonyl-benzoyl)amino]piperidine-1-carboxylic acid ethyl ester Formula: C19H26FN3O5S MolecularWeight: 427.490243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)F

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)F

InChI

InChI=1S/C19H26FN3O5S/c1-2-28-19(25)22-11-7-14(8-12-22)21-18(24)16-13-15(5-6-17(16)20)29(26,27)23-9-3-4-10-23/h5-6,13-14H,2-4,7-12H2,1H3,(H,21,24)