[4-[[butanoyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[butanoyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[butanoyl(isobutyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[2-methylpropyl(1-oxobutyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[butanoyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[butyryl(isobutyl)amino]methyl]phenyl] ester Formula: C17H27NO4S MolecularWeight: 341.46558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO4S/c1-5-7-17(19)18(12-14(3)4)13-15-8-10-16(11-9-15)22-23(20,21)6-2/h8-11,14H,5-7,12-13H2,1-4H3