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

Systemtic Name: [2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [2-[[isopropyl(3-methylbutanoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-[[(3-methyl-1-oxobutyl)-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [2-[[isopropyl(isovaleryl)amino]methyl]phenyl] ester Formula: C17H27NO4S MolecularWeight: 341.46558

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC=C1CN(C(C)C)C(=O)CC(C)C

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC=C1CN(C(C)C)C(=O)CC(C)C

InChI

InChI=1S/C17H27NO4S/c1-6-23(20,21)22-16-10-8-7-9-15(16)12-18(14(4)5)17(19)11-13(2)3/h7-10,13-14H,6,11-12H2,1-5H3