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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)CC)C(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)CC)C(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C25H35NO5S/c1-8-18(3)26(24(27)20-11-13-21(14-12-20)25(4,5)6)17-19-10-15-22(30-7)23(16-19)31-32(28,29)9-2/h10-16,18H,8-9,17H2,1-7H3