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

Systemtic Name: [5-[[butan-2-yl-(4-pentylphenyl)carbonyl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [2-methoxy-5-[[(4-pentylbenzoyl)-sec-butyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[butan-2-yl-[oxo-(4-pentylphenyl)methyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl-(4-pentylbenzoyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[(4-amylbenzoyl)-sec-butyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C26H37NO5S MolecularWeight: 475.64068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)CC)C(C)CC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)CC)C(C)CC

InChI

InChI=1S/C26H37NO5S/c1-6-9-10-11-21-12-15-23(16-13-21)26(28)27(20(4)7-2)19-22-14-17-24(31-5)25(18-22)32-33(29,30)8-3/h12-18,20H,6-11,19H2,1-5H3