[2-methoxy-5-[[2-methoxyethyl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [2-methoxy-5-[[2-methoxyethyl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [2-methoxy-5-[[2-methoxyethyl(8-quinolylsulfonyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-methoxy-5-[[2-methoxyethyl(8-quinolinylsulfonyl)amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[2-methoxyethyl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-methoxy-5-[[2-methoxyethyl(8-quinolylsulfonyl)amino]methyl]phenyl] ester Formula: C21H24N2O7S2 MolecularWeight: 480.55446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O7S2/c1-28-13-12-23(15-16-9-10-18(29-2)19(14-16)30-31(3,24)25)32(26,27)20-8-4-6-17-7-5-11-22-21(17)20/h4-11,14H,12-13,15H2,1-3H3