[4-[[2-methylpropyl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[2-methylpropyl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[isobutyl(8-quinolylsulfonyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[2-methylpropyl(8-quinolinylsulfonyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[2-methylpropyl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[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=C(C=C1)CN(CC(C)C)S(=O)(=O)C2=CC=CC3=C2N=CC=C3

Isomeric SMILES

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

InChI

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