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

Systemtic Name: [5-[[(4-tert-butylphenyl)sulfonyl-(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[(4-tert-butylphenyl)sulfonyl-isobutyl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[(4-tert-butylphenyl)sulfonyl-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(4-tert-butylphenyl)sulfonyl-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[(4-tert-butylphenyl)sulfonyl-isobutyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C24H35NO6S2 MolecularWeight: 497.6678

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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)C(C)(C)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H35NO6S2/c1-8-32(26,27)31-23-15-19(9-14-22(23)30-7)17-25(16-18(2)3)33(28,29)21-12-10-20(11-13-21)24(4,5)6/h9-15,18H,8,16-17H2,1-7H3