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

Systemtic Name: [4-[[propan-2-yl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[isopropyl(8-quinolylsulfonyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[propan-2-yl(8-quinolinylsulfonyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[propan-2-yl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[isopropyl(8-quinolylsulfonyl)amino]methyl]phenyl] ester Formula: C21H24N2O5S2 MolecularWeight: 448.55566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=C(C=C1)CN(C(C)C)S(=O)(=O)C2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CCS(=O)(=O)OC1=CC=C(C=C1)CN(C(C)C)S(=O)(=O)C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C21H24N2O5S2/c1-4-29(24,25)28-19-12-10-17(11-13-19)15-23(16(2)3)30(26,27)20-9-5-7-18-8-6-14-22-21(18)20/h5-14,16H,4,15H2,1-3H3