ethyl 1-[2-[(4-bromanyl-3-methyl-phenyl)-methylsulfonyl-amino]ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[(4-bromanyl-3-methyl-phenyl)-methylsulfonyl-amino]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(4-bromo-3-methyl-N-methylsulfonyl-anilino)acetyl]piperidine-4-carboxylate CAS Name: 1-[2-(4-bromo-3-methyl-N-methylsulfonylanilino)-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-bromo-3-methyl-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(4-bromo-N-mesyl-3-methyl-anilino)acetyl]isonipecotic acid ethyl ester Formula: C18H25BrN2O5S MolecularWeight: 461.3705

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CN(C2=CC(=C(C=C2)Br)C)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CN(C2=CC(=C(C=C2)Br)C)S(=O)(=O)C

InChI

InChI=1S/C18H25BrN2O5S/c1-4-26-18(23)14-7-9-20(10-8-14)17(22)12-21(27(3,24)25)15-5-6-16(19)13(2)11-15/h5-6,11,14H,4,7-10,12H2,1-3H3