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

Systemtic Name: [4-[[2-methylpropyl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[isobutyl(8-quinolylsulfonyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[2-methylpropyl(8-quinolinylsulfonyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[2-methylpropyl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[isobutyl(8-quinolylsulfonyl)amino]methyl]phenyl] ester Formula: C21H24N2O5S2 MolecularWeight: 448.55566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5S2/c1-16(2)14-23(15-17-9-11-19(12-10-17)28-29(3,24)25)30(26,27)20-8-4-6-18-7-5-13-22-21(18)20/h4-13,16H,14-15H2,1-3H3