[2-methoxy-5-[[2-methylpropyl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [2-methoxy-5-[[2-methylpropyl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [5-[[isobutyl(8-quinolylsulfonyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-methoxy-5-[[2-methylpropyl(8-quinolinylsulfonyl)amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[2-methylpropyl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[isobutyl(8-quinolylsulfonyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C23H28N2O6S2 MolecularWeight: 492.60822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O6S2/c1-5-32(26,27)31-21-14-18(11-12-20(21)30-4)16-25(15-17(2)3)33(28,29)22-10-6-8-19-9-7-13-24-23(19)22/h6-14,17H,5,15-16H2,1-4H3