[2-methoxy-5-[[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [2-methoxy-5-[[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [5-[[isobutyl-(4-methoxyphenyl)sulfonyl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-methoxy-5-[[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[isobutyl-(4-methoxyphenyl)sulfonyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C21H29NO7S2 MolecularWeight: 471.58746

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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=C(C=C2)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO7S2/c1-6-30(23,24)29-21-13-17(7-12-20(21)28-5)15-22(14-16(2)3)31(25,26)19-10-8-18(27-4)9-11-19/h7-13,16H,6,14-15H2,1-5H3