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

Systemtic Name: 2-[1-(3,4-dichlorophenyl)-4,4-dimethyl-3-oxidanylidene-5-piperidin-1-yl-pentyl]sulfanylethanesulfonic acid Openeye Name: 2-[1-(3,4-dichlorophenyl)-4,4-dimethyl-3-oxo-5-(1-piperidyl)pentyl]sulfanylethanesulfonic acid CAS Name: 2-[[1-(3,4-dichlorophenyl)-4,4-dimethyl-3-oxo-5-(1-piperidinyl)pentyl]thio]ethanesulfonic acid IUPAC Name: 2-[1-(3,4-dichlorophenyl)-4,4-dimethyl-3-oxo-5-piperidin-1-ylpentyl]sulfanylethanesulfonic acid Traditional Name: 2-[[1-(3,4-dichlorophenyl)-3-keto-4,4-dimethyl-5-piperidino-pentyl]thio]ethanesulfonic acid Formula: C20H29Cl2NO4S2 MolecularWeight: 482.48456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29Cl2NO4S2/c1-20(2,14-23-8-4-3-5-9-23)19(24)13-18(28-10-11-29(25,26)27)15-6-7-16(21)17(22)12-15/h6-7,12,18H,3-5,8-11,13-14H2,1-2H3,(H,25,26,27)