N,N'-bis[2-(2-methylsulfanylnaphthalen-1-yl)ethyl]butane-1,4-diamine; methanesulfonic acid

Systemtic Name: N,N'-bis[2-(2-methylsulfanylnaphthalen-1-yl)ethyl]butane-1,4-diamine; methanesulfonic acid Openeye Name: N,N'-bis[2-(2-methylsulfanyl-1-naphthyl)ethyl]butane-1,4-diamine; methanesulfonic acid CAS Name: N,N'-bis[2-[2-(methylthio)-1-naphthalenyl]ethyl]butane-1,4-diamine; methanesulfonic acid IUPAC Name: N,N'-bis[2-(2-methylsulfanylnaphthalen-1-yl)ethyl]butane-1,4-diamine; methanesulfonic acid Traditional Name: mesylic acid; 2-[2-(methylthio)-1-naphthyl]ethyl-[4-[2-[2-(methylthio)-1-naphthyl]ethylamino]butyl]amine Formula: C31H40N2O3S3 MolecularWeight: 584.8559

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C2=CC=CC=C2C=C1)CCNCCCCNCCC3=C(C=CC4=CC=CC=C43)SC.CS(=O)(=O)O

Isomeric SMILES

CSC1=C(C2=CC=CC=C2C=C1)CCNCCCCNCCC3=C(C=CC4=CC=CC=C43)SC.CS(=O)(=O)O

InChI

InChI=1S/C30H36N2S2.CH4O3S/c1-33-29-15-13-23-9-3-5-11-25(23)27(29)17-21-31-19-7-8-20-32-22-18-28-26-12-6-4-10-24(26)14-16-30(28)34-2;1-5(2,3)4/h3-6,9-16,31-32H,7-8,17-22H2,1-2H3;1H3,(H,2,3,4)