3-[3-[4-(phenylmethyl)piperidin-1-yl]sulfonylphenyl]sulfonylthiolane 1,1-dioxide

Systemtic Name: 3-[3-[4-(phenylmethyl)piperidin-1-yl]sulfonylphenyl]sulfonylthiolane 1,1-dioxide Openeye Name: 3-[3-[(4-benzyl-1-piperidyl)sulfonyl]phenyl]sulfonylthiolane 1,1-dioxide CAS Name: 3-[3-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]phenyl]sulfonylthiolane 1,1-dioxide IUPAC Name: 3-[3-(4-benzylpiperidin-1-yl)sulfonylphenyl]sulfonylthiolane 1,1-dioxide Traditional Name: 3-[3-(4-benzylpiperidino)sulfonylphenyl]sulfonylsulfolane Formula: C22H27NO6S3 MolecularWeight: 497.64788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)C4CCS(=O)(=O)C4

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)C4CCS(=O)(=O)C4

InChI

InChI=1S/C22H27NO6S3/c24-30(25)14-11-22(17-30)31(26,27)20-7-4-8-21(16-20)32(28,29)23-12-9-19(10-13-23)15-18-5-2-1-3-6-18/h1-8,16,19,22H,9-15,17H2