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

Systemtic Name: [4-[[dimethylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[dimethylcarbamoyl(isobutyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[dimethylamino(oxo)methyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[dimethylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[dimethylcarbamoyl(isobutyl)amino]methyl]phenyl] ester Formula: C16H26N2O4S MolecularWeight: 342.45364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O4S/c1-6-23(20,21)22-15-9-7-14(8-10-15)12-18(11-13(2)3)16(19)17(4)5/h7-10,13H,6,11-12H2,1-5H3