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

Systemtic Name: [3-[[2-methylpropyl(phenylcarbonyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[benzoyl(isobutyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[benzoyl(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[benzoyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[benzoyl(isobutyl)amino]methyl]phenyl] ester Formula: C20H25NO4S MolecularWeight: 375.4818

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC(C)C)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC(C)C)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H25NO4S/c1-4-26(23,24)25-19-12-8-9-17(13-19)15-21(14-16(2)3)20(22)18-10-6-5-7-11-18/h5-13,16H,4,14-15H2,1-3H3