[3-[[cyclopropylcarbonyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[cyclopropylcarbonyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[cyclopropanecarbonyl(isobutyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[cyclopropyl(oxo)methyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[cyclopropanecarbonyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[cyclopropanecarbonyl(isobutyl)amino]methyl]phenyl] ester Formula: C17H25NO4S MolecularWeight: 339.4497

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO4S/c1-4-23(20,21)22-16-7-5-6-14(10-16)12-18(11-13(2)3)17(19)15-8-9-15/h5-7,10,13,15H,4,8-9,11-12H2,1-3H3