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

Systemtic Name: [3-[[2-methylpropyl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[isobutyl(8-quinolylsulfonyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-methylpropyl(8-quinolinylsulfonyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methylpropyl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[isobutyl(8-quinolylsulfonyl)amino]methyl]phenyl] ester Formula: C22H26N2O5S2 MolecularWeight: 462.58224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S2/c1-4-30(25,26)29-20-11-5-8-18(14-20)16-24(15-17(2)3)31(27,28)21-12-6-9-19-10-7-13-23-22(19)21/h5-14,17H,4,15-16H2,1-3H3