ethyl 1-(2-bromanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-(2-bromanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-(2-bromo-5-pyrrolidin-1-ylsulfonyl-benzoyl)piperidine-3-carboxylate CAS Name: 1-[[2-bromo-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-bromo-5-pyrrolidin-1-ylsulfonylbenzoyl)piperidine-3-carboxylate Traditional Name: 1-(2-bromo-5-pyrrolidinosulfonyl-benzoyl)nipecotic acid ethyl ester Formula: C19H25BrN2O5S MolecularWeight: 473.3812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Br

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Br

InChI

InChI=1S/C19H25BrN2O5S/c1-2-27-19(24)14-6-5-9-21(13-14)18(23)16-12-15(7-8-17(16)20)28(25,26)22-10-3-4-11-22/h7-8,12,14H,2-6,9-11,13H2,1H3