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

Systemtic Name: [4-[[2-methylpropanoyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[isobutyl(2-methylpropanoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[(2-methyl-1-oxopropyl)-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[2-methylpropanoyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[isobutyl(isobutyryl)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(CC(C)C)C(=O)C(C)C

Isomeric SMILES

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

InChI

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