N,N-dimethyl-1,3-bis[(phenylmethyl)sulfonylsulfanyl]propan-2-amine; ethanedioic acid

Systemtic Name: N,N-dimethyl-1,3-bis[(phenylmethyl)sulfonylsulfanyl]propan-2-amine; ethanedioic acid Openeye Name: 1,3-bis(benzylsulfonylsulfanyl)-N,N-dimethyl-propan-2-amine; oxalic acid CAS Name: N,N-dimethyl-1,3-bis[(phenylmethyl)sulfonylthio]-2-propanamine; oxalic acid IUPAC Name: 1,3-bis(benzylsulfonylsulfanyl)-N,N-dimethylpropan-2-amine; oxalic acid Traditional Name: [2-(benzylsulfonylthio)-1-[(benzylsulfonylthio)methyl]ethyl]-dimethyl-amine; oxalic acid Formula: C21H27NO8S4 MolecularWeight: 549.70098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CSS(=O)(=O)CC1=CC=CC=C1)CSS(=O)(=O)CC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C)C(CSS(=O)(=O)CC1=CC=CC=C1)CSS(=O)(=O)CC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H25NO4S4.C2H2O4/c1-20(2)19(13-25-27(21,22)15-17-9-5-3-6-10-17)14-26-28(23,24)16-18-11-7-4-8-12-18;3-1(4)2(5)6/h3-12,19H,13-16H2,1-2H3;(H,3,4)(H,5,6)