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

Systemtic Name: [3-[[2-methoxyethyl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[2-methoxyethyl(8-quinolylsulfonyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-methoxyethyl(8-quinolinylsulfonyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methoxyethyl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[2-methoxyethyl(8-quinolylsulfonyl)amino]methyl]phenyl] ester Formula: C21H24N2O6S2 MolecularWeight: 464.55506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O6S2/c1-3-30(24,25)29-19-10-4-7-17(15-19)16-23(13-14-28-2)31(26,27)20-11-5-8-18-9-6-12-22-21(18)20/h4-12,15H,3,13-14,16H2,1-2H3