[3-[[octanoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[octanoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[isopropyl(octanoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[1-oxooctyl(propan-2-yl)amino]methyl]phenyl] ester IUPAC Name: [3-[[octanoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[caprylyl(isopropyl)amino]methyl]phenyl] ester Formula: C20H33NO4S MolecularWeight: 383.54532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33NO4S/c1-5-7-8-9-10-14-20(22)21(17(3)4)16-18-12-11-13-19(15-18)25-26(23,24)6-2/h11-13,15,17H,5-10,14,16H2,1-4H3