[3-[[butan-2-yl(decanoyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[butan-2-yl(decanoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[decanoyl(sec-butyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[butan-2-yl(1-oxodecyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl(decanoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[capryl(sec-butyl)amino]methyl]phenyl] ester Formula: C23H39NO4S MolecularWeight: 425.62506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)N(CC1=CC(=CC=C1)OS(=O)(=O)CC)C(C)CC

Isomeric SMILES

CCCCCCCCCC(=O)N(CC1=CC(=CC=C1)OS(=O)(=O)CC)C(C)CC

InChI

InChI=1S/C23H39NO4S/c1-5-8-9-10-11-12-13-17-23(25)24(20(4)6-2)19-21-15-14-16-22(18-21)28-29(26,27)7-3/h14-16,18,20H,5-13,17,19H2,1-4H3