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

Systemtic Name: [5-[[(4-tert-butylphenyl)carbonyl-(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[(4-tert-butylbenzoyl)-isobutyl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[[(4-tert-butylphenyl)-oxomethyl]-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(4-tert-butylbenzoyl)-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[(4-tert-butylbenzoyl)-isobutyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C25H35NO5S MolecularWeight: 461.6141

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H35NO5S/c1-8-32(28,29)31-23-15-19(9-14-22(23)30-7)17-26(16-18(2)3)24(27)20-10-12-21(13-11-20)25(4,5)6/h9-15,18H,8,16-17H2,1-7H3