[3-[[furan-2-ylmethyl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[furan-2-ylmethyl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[2-furylmethyl(8-quinolylsulfonyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-furanylmethyl(8-quinolinylsulfonyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[furan-2-ylmethyl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[2-furfuryl(8-quinolylsulfonyl)amino]methyl]phenyl] ester Formula: C23H22N2O6S2 MolecularWeight: 486.56058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C23H22N2O6S2/c1-2-32(26,27)31-20-10-3-7-18(15-20)16-25(17-21-11-6-14-30-21)33(28,29)22-12-4-8-19-9-5-13-24-23(19)22/h3-15H,2,16-17H2,1H3