[4-[[2,2-dimethylpropanoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[2,2-dimethylpropanoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[2,2-dimethylpropanoyl(isopropyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[(2,2-dimethyl-1-oxopropyl)-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[2,2-dimethylpropanoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[isopropyl(pivaloyl)amino]methyl]phenyl] ester Formula: C17H27NO4S MolecularWeight: 341.46558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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