[4-[[3-methoxypropyl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[3-methoxypropyl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[3-methoxypropyl(8-quinolylsulfonyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[3-methoxypropyl(8-quinolinylsulfonyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[3-methoxypropyl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[3-methoxypropyl(8-quinolylsulfonyl)amino]methyl]phenyl] ester Formula: C21H24N2O6S2 MolecularWeight: 464.55506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O6S2/c1-28-15-5-14-23(16-17-9-11-19(12-10-17)29-30(2,24)25)31(26,27)20-8-3-6-18-7-4-13-22-21(18)20/h3-4,6-13H,5,14-16H2,1-2H3