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

Systemtic Name: [5-[[butan-2-yl-(4-ethylphenyl)carbonyl-amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[(4-ethylbenzoyl)-sec-butyl-amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[butan-2-yl-[(4-ethylphenyl)-oxomethyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl-(4-ethylbenzoyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[(4-ethylbenzoyl)-sec-butyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C22H29NO5S MolecularWeight: 419.53436

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)C)C(C)CC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)C)C(C)CC

InChI

InChI=1S/C22H29NO5S/c1-6-16(3)23(22(24)19-11-8-17(7-2)9-12-19)15-18-10-13-20(27-4)21(14-18)28-29(5,25)26/h8-14,16H,6-7,15H2,1-5H3