[2-methoxy-5-[[2-methylpropyl(phenylsulfonyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [2-methoxy-5-[[2-methylpropyl(phenylsulfonyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [5-[[benzenesulfonyl(isobutyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[benzenesulfonyl(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[benzenesulfonyl(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[besyl(isobutyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C20H27NO6S2 MolecularWeight: 441.56148

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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=CC=C2)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO6S2/c1-5-28(22,23)27-20-13-17(11-12-19(20)26-4)15-21(14-16(2)3)29(24,25)18-9-7-6-8-10-18/h6-13,16H,5,14-15H2,1-4H3