2,2-dimethyl-3-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-propanoate

Systemtic Name: 2,2-dimethyl-3-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-propanoate Openeye Name: 3-[(4-benzyl-1-piperidyl)sulfonyl]-2,2-dimethyl-propanoate CAS Name: 2,2-dimethyl-3-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]propanoate IUPAC Name: 3-(4-benzylpiperidin-1-yl)sulfonyl-2,2-dimethylpropanoate Traditional Name: 3-(4-benzylpiperidino)sulfonyl-2,2-dimethyl-propionate Formula: C17H24NO4S- MolecularWeight: 338.44176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CS(=O)(=O)N1CCC(CC1)CC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC(C)(CS(=O)(=O)N1CCC(CC1)CC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C17H25NO4S/c1-17(2,16(19)20)13-23(21,22)18-10-8-15(9-11-18)12-14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3,(H,19,20)/p-1