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

Systemtic Name: 2-(4,4-dimethyl-3-oxidanylidene-1-phenyl-5-piperidin-1-yl-pentyl)sulfanylethanesulfonic acid Openeye Name: 2-[4,4-dimethyl-3-oxo-1-phenyl-5-(1-piperidyl)pentyl]sulfanylethanesulfonic acid CAS Name: 2-[[4,4-dimethyl-3-oxo-1-phenyl-5-(1-piperidinyl)pentyl]thio]ethanesulfonic acid IUPAC Name: 2-(4,4-dimethyl-3-oxo-1-phenyl-5-piperidin-1-ylpentyl)sulfanylethanesulfonic acid Traditional Name: 2-[(3-keto-4,4-dimethyl-1-phenyl-5-piperidino-pentyl)thio]ethanesulfonic acid Formula: C20H31NO4S2 MolecularWeight: 413.59444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31NO4S2/c1-20(2,16-21-11-7-4-8-12-21)19(22)15-18(17-9-5-3-6-10-17)26-13-14-27(23,24)25/h3,5-6,9-10,18H,4,7-8,11-16H2,1-2H3,(H,23,24,25)