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

Systemtic Name: [2-methoxy-5-[[2-methylpropyl-(4-pentylphenyl)carbonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [5-[[isobutyl-(4-pentylbenzoyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-methoxy-5-[[2-methylpropyl-[oxo-(4-pentylphenyl)methyl]amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[2-methylpropyl-(4-pentylbenzoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[(4-amylbenzoyl)-isobutyl-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)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H37NO5S/c1-6-8-9-10-21-11-14-23(15-12-21)26(28)27(18-20(3)4)19-22-13-16-24(31-5)25(17-22)32-33(29,30)7-2/h11-17,20H,6-10,18-19H2,1-5H3