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

Systemtic Name: [5-[[butan-2-yl-(4-hexylphenyl)carbonyl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[(4-hexylbenzoyl)-sec-butyl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[butan-2-yl-[(4-hexylphenyl)-oxomethyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl-(4-hexylbenzoyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[(4-hexylbenzoyl)-sec-butyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C27H39NO5S MolecularWeight: 489.66726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)CC)C(C)CC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)CC)C(C)CC

InChI

InChI=1S/C27H39NO5S/c1-6-9-10-11-12-22-13-16-24(17-14-22)27(29)28(21(4)7-2)20-23-15-18-25(32-5)26(19-23)33-34(30,31)8-3/h13-19,21H,6-12,20H2,1-5H3