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

Systemtic Name: [4-[[cyclopropylcarbonyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[cyclopropanecarbonyl(isobutyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[cyclopropyl(oxo)methyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[cyclopropanecarbonyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[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=C(C=C1)CN(CC(C)C)C(=O)C2CC2

Isomeric SMILES

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

InChI

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