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

Systemtic Name: methyl 1-[2-[(4-bromanyl-3-methyl-phenyl)-methylsulfonyl-amino]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C17H23BrN2O5S MolecularWeight: 447.34392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CC(=O)N2CCC(CC2)C(=O)OC)S(=O)(=O)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N(CC(=O)N2CCC(CC2)C(=O)OC)S(=O)(=O)C)Br

InChI

InChI=1S/C17H23BrN2O5S/c1-12-10-14(4-5-15(12)18)20(26(3,23)24)11-16(21)19-8-6-13(7-9-19)17(22)25-2/h4-5,10,13H,6-9,11H2,1-3H3