2-[[4-[(4-chlorophenyl)methylidene]piperidin-1-yl]sulfonylmethyl]-3-methyl-butanoic acid

Systemtic Name: 2-[[4-[(4-chlorophenyl)methylidene]piperidin-1-yl]sulfonylmethyl]-3-methyl-butanoic acid Openeye Name: 2-[[4-[(4-chlorophenyl)methylene]-1-piperidyl]sulfonylmethyl]-3-methyl-butanoic acid CAS Name: 2-[[4-[(4-chlorophenyl)methylidene]-1-piperidinyl]sulfonylmethyl]-3-methylbutanoic acid IUPAC Name: 2-[[4-[(4-chlorophenyl)methylidene]piperidin-1-yl]sulfonylmethyl]-3-methylbutanoic acid Traditional Name: 2-[[4-(4-chlorobenzylidene)piperidino]sulfonylmethyl]-3-methyl-butyric acid Formula: C18H24ClNO4S MolecularWeight: 385.90546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CS(=O)(=O)N1CCC(=CC2=CC=C(C=C2)Cl)CC1)C(=O)O

Isomeric SMILES

CC(C)C(CS(=O)(=O)N1CCC(=CC2=CC=C(C=C2)Cl)CC1)C(=O)O

InChI

InChI=1S/C18H24ClNO4S/c1-13(2)17(18(21)22)12-25(23,24)20-9-7-15(8-10-20)11-14-3-5-16(19)6-4-14/h3-6,11,13,17H,7-10,12H2,1-2H3,(H,21,22)