[4-[[propan-2-yl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[propan-2-yl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[isopropyl(8-quinolylsulfonyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[propan-2-yl(8-quinolinylsulfonyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[propan-2-yl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[isopropyl(8-quinolylsulfonyl)amino]methyl]phenyl] ester Formula: C20H22N2O5S2 MolecularWeight: 434.52908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C)S(=O)(=O)C2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C)S(=O)(=O)C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C20H22N2O5S2/c1-15(2)22(14-16-9-11-18(12-10-16)27-28(3,23)24)29(25,26)19-8-4-6-17-7-5-13-21-20(17)19/h4-13,15H,14H2,1-3H3