2-[1-(4-bromophenyl)-4,4-dimethyl-3-oxidanylidene-5-piperidin-1-yl-pentyl]sulfanylethanesulfonic acid

Systemtic Name: 2-[1-(4-bromophenyl)-4,4-dimethyl-3-oxidanylidene-5-piperidin-1-yl-pentyl]sulfanylethanesulfonic acid Openeye Name: 2-[1-(4-bromophenyl)-4,4-dimethyl-3-oxo-5-(1-piperidyl)pentyl]sulfanylethanesulfonic acid CAS Name: 2-[[1-(4-bromophenyl)-4,4-dimethyl-3-oxo-5-(1-piperidinyl)pentyl]thio]ethanesulfonic acid IUPAC Name: 2-[1-(4-bromophenyl)-4,4-dimethyl-3-oxo-5-piperidin-1-ylpentyl]sulfanylethanesulfonic acid Traditional Name: 2-[[1-(4-bromophenyl)-3-keto-4,4-dimethyl-5-piperidino-pentyl]thio]ethanesulfonic acid Formula: C20H30BrNO4S2 MolecularWeight: 492.4905

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN1CCCCC1)C(=O)CC(C2=CC=C(C=C2)Br)SCCS(=O)(=O)O

Isomeric SMILES

CC(C)(CN1CCCCC1)C(=O)CC(C2=CC=C(C=C2)Br)SCCS(=O)(=O)O

InChI

InChI=1S/C20H30BrNO4S2/c1-20(2,15-22-10-4-3-5-11-22)19(23)14-18(27-12-13-28(24,25)26)16-6-8-17(21)9-7-16/h6-9,18H,3-5,10-15H2,1-2H3,(H,24,25,26)