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

Systemtic Name: [3-[[(4-hexylphenyl)carbonyl-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(4-hexylbenzoyl)-isobutyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(4-hexylphenyl)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(4-hexylbenzoyl)-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(4-hexylbenzoyl)-isobutyl-amino]methyl]phenyl] ester Formula: C26H37NO4S MolecularWeight: 459.64128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37NO4S/c1-5-7-8-9-11-22-14-16-24(17-15-22)26(28)27(19-21(3)4)20-23-12-10-13-25(18-23)31-32(29,30)6-2/h10,12-18,21H,5-9,11,19-20H2,1-4H3