[3-[[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[isobutyl-(4-methoxyphenyl)sulfonyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[isobutyl-(4-methoxyphenyl)sulfonyl-amino]methyl]phenyl] ester Formula: C20H27NO6S2 MolecularWeight: 441.56148

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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=C(C=C2)OC

Isomeric SMILES

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

InChI

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