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

Systemtic Name: [4-[[3-methylbutanoyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[isobutyl(3-methylbutanoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[(3-methyl-1-oxobutyl)-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[3-methylbutanoyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[isobutyl(isovaleryl)amino]methyl]phenyl] ester Formula: C18H29NO4S MolecularWeight: 355.49216

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=C(C=C1)CN(CC(C)C)C(=O)CC(C)C

Isomeric SMILES

CCS(=O)(=O)OC1=CC=C(C=C1)CN(CC(C)C)C(=O)CC(C)C

InChI

InChI=1S/C18H29NO4S/c1-6-24(21,22)23-17-9-7-16(8-10-17)13-19(12-15(4)5)18(20)11-14(2)3/h7-10,14-15H,6,11-13H2,1-5H3