[4-[[naphthalen-1-ylsulfonyl(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[naphthalen-1-ylsulfonyl(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[1-naphthylsulfonyl(tetrahydrofuran-2-ylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[1-naphthalenylsulfonyl(2-oxolanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[naphthalen-1-ylsulfonyl(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[1-naphthylsulfonyl(tetrahydrofurfuryl)amino]methyl]phenyl] ester Formula: C23H25NO6S2 MolecularWeight: 475.5777

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2CCCO2)S(=O)(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2CCCO2)S(=O)(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H25NO6S2/c1-31(25,26)30-20-13-11-18(12-14-20)16-24(17-21-8-5-15-29-21)32(27,28)23-10-4-7-19-6-2-3-9-22(19)23/h2-4,6-7,9-14,21H,5,8,15-17H2,1H3