[2-[[tert-butylcarbamoyl(2-methylpropyl)amino]methyl]-4-chloranyl-phenyl] ethanesulfonate

Systemtic Name: [2-[[tert-butylcarbamoyl(2-methylpropyl)amino]methyl]-4-chloranyl-phenyl] ethanesulfonate Openeye Name: [2-[[tert-butylcarbamoyl(isobutyl)amino]methyl]-4-chloro-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-[[[(tert-butylamino)-oxomethyl]-(2-methylpropyl)amino]methyl]-4-chlorophenyl] ester IUPAC Name: [2-[[tert-butylcarbamoyl(2-methylpropyl)amino]methyl]-4-chlorophenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [2-[[tert-butylcarbamoyl(isobutyl)amino]methyl]-4-chloro-phenyl] ester Formula: C18H29ClN2O4S MolecularWeight: 404.95186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29ClN2O4S/c1-7-26(23,24)25-16-9-8-15(19)10-14(16)12-21(11-13(2)3)17(22)20-18(4,5)6/h8-10,13H,7,11-12H2,1-6H3,(H,20,22)