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

Systemtic Name: [3-[[hexanoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[hexanoyl(isopropyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[1-oxohexyl(propan-2-yl)amino]methyl]phenyl] ester IUPAC Name: [3-[[hexanoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[caproyl(isopropyl)amino]methyl]phenyl] ester Formula: C18H29NO4S MolecularWeight: 355.49216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO4S/c1-5-7-8-12-18(20)19(15(3)4)14-16-10-9-11-17(13-16)23-24(21,22)6-2/h9-11,13,15H,5-8,12,14H2,1-4H3