[4-[[cyclopropyl(3,3-dimethylbutanoyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[cyclopropyl(3,3-dimethylbutanoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[cyclopropyl(3,3-dimethylbutanoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[cyclopropyl-(3,3-dimethyl-1-oxobutyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[cyclopropyl(3,3-dimethylbutanoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[cyclopropyl(3,3-dimethylbutanoyl)amino]methyl]phenyl] ester Formula: C18H27NO4S MolecularWeight: 353.47628

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=C(C=C1)CN(C2CC2)C(=O)CC(C)(C)C

Isomeric SMILES

CCS(=O)(=O)OC1=CC=C(C=C1)CN(C2CC2)C(=O)CC(C)(C)C

InChI

InChI=1S/C18H27NO4S/c1-5-24(21,22)23-16-10-6-14(7-11-16)13-19(15-8-9-15)17(20)12-18(2,3)4/h6-7,10-11,15H,5,8-9,12-13H2,1-4H3