[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-[(2S,6S)-2,6-dimethyl-1-piperidyl]-2-oxo-ethyl] 4-bromo-3-morpholinosulfonyl-benzoate CAS Name: 4-bromo-3-(4-morpholinylsulfonyl)benzoic acid [2-[(2S,6S)-2,6-dimethyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 4-bromo-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-bromo-3-morpholinosulfonyl-benzoic acid [2-[(2S,6S)-2,6-dimethylpiperidino]-2-keto-ethyl] ester Formula: C20H27BrN2O6S MolecularWeight: 503.40718

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)COC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

C[C@H]1CCC[C@@H](N1C(=O)COC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C20H27BrN2O6S/c1-14-4-3-5-15(2)23(14)19(24)13-29-20(25)16-6-7-17(21)18(12-16)30(26,27)22-8-10-28-11-9-22/h6-7,12,14-15H,3-5,8-11,13H2,1-2H3/t14-,15-/m0/s1