methanesulfonic acid; 1-[(2-phenylsulfanylphenyl)methyl]piperazine

Systemtic Name: methanesulfonic acid; 1-[(2-phenylsulfanylphenyl)methyl]piperazine Openeye Name: methanesulfonic acid; 1-[(2-phenylsulfanylphenyl)methyl]piperazine CAS Name: methanesulfonic acid; 1-[[2-(phenylthio)phenyl]methyl]piperazine IUPAC Name: methanesulfonic acid; 1-[(2-phenylsulfanylphenyl)methyl]piperazine Traditional Name: mesylic acid; 1-[2-(phenylthio)benzyl]piperazine Formula: C18H24N2O3S2 MolecularWeight: 380.52476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1CN(CCN1)CC2=CC=CC=C2SC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)O.C1CN(CCN1)CC2=CC=CC=C2SC3=CC=CC=C3

InChI

InChI=1S/C17H20N2S.CH4O3S/c1-2-7-16(8-3-1)20-17-9-5-4-6-15(17)14-19-12-10-18-11-13-19;1-5(2,3)4/h1-9,18H,10-14H2;1H3,(H,2,3,4)