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

Systemtic Name: [4-[[oxolan-2-ylmethyl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[8-quinolylsulfonyl(tetrahydrofuran-2-ylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[2-oxolanylmethyl(8-quinolinylsulfonyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[oxolan-2-ylmethyl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[8-quinolylsulfonyl(tetrahydrofurfuryl)amino]methyl]phenyl] ester Formula: C22H24N2O6S2 MolecularWeight: 476.56576

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2CCCO2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2CCCO2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C22H24N2O6S2/c1-31(25,26)30-19-11-9-17(10-12-19)15-24(16-20-7-4-14-29-20)32(27,28)21-8-2-5-18-6-3-13-23-22(18)21/h2-3,5-6,8-13,20H,4,7,14-16H2,1H3