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

Systemtic Name: [5-[[butan-2-yl-(4-tert-butylphenyl)carbonyl-amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[(4-tert-butylbenzoyl)-sec-butyl-amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic 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] methanesulfonate Traditional Name: methanesulfonic acid [5-[[(4-tert-butylbenzoyl)-sec-butyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C24H33NO5S MolecularWeight: 447.58752

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C24H33NO5S/c1-8-17(2)25(23(26)19-10-12-20(13-11-19)24(3,4)5)16-18-9-14-21(29-6)22(15-18)30-31(7,27)28/h9-15,17H,8,16H2,1-7H3