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

Systemtic Name: [3-[[3,3-dimethylbutanoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[3,3-dimethylbutanoyl(isopropyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[(3,3-dimethyl-1-oxobutyl)-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[3,3-dimethylbutanoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[3,3-dimethylbutanoyl(isopropyl)amino]methyl]phenyl] ester Formula: C18H29NO4S MolecularWeight: 355.49216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO4S/c1-7-24(21,22)23-16-10-8-9-15(11-16)13-19(14(2)3)17(20)12-18(4,5)6/h8-11,14H,7,12-13H2,1-6H3