[3-[[2-methylpropyl-(4-pentylphenyl)carbonyl-amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[2-methylpropyl-(4-pentylphenyl)carbonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[isobutyl-(4-pentylbenzoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-methylpropyl-[oxo-(4-pentylphenyl)methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methylpropyl-(4-pentylbenzoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(4-amylbenzoyl)-isobutyl-amino]methyl]phenyl] ester Formula: C25H35NO4S MolecularWeight: 445.6147

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35NO4S/c1-5-7-8-10-21-13-15-23(16-14-21)25(27)26(18-20(3)4)19-22-11-9-12-24(17-22)30-31(28,29)6-2/h9,11-17,20H,5-8,10,18-19H2,1-4H3