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

Systemtic Name: [2-[[tert-butylcarbamoyl(propan-2-yl)amino]methyl]-4-chloranyl-phenyl] ethanesulfonate Openeye Name: [2-[[tert-butylcarbamoyl(isopropyl)amino]methyl]-4-chloro-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-[[[(tert-butylamino)-oxomethyl]-propan-2-ylamino]methyl]-4-chlorophenyl] ester IUPAC Name: [2-[[tert-butylcarbamoyl(propan-2-yl)amino]methyl]-4-chlorophenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [2-[[tert-butylcarbamoyl(isopropyl)amino]methyl]-4-chloro-phenyl] ester Formula: C17H27ClN2O4S MolecularWeight: 390.92528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27ClN2O4S/c1-7-25(22,23)24-15-9-8-14(18)10-13(15)11-20(12(2)3)16(21)19-17(4,5)6/h8-10,12H,7,11H2,1-6H3,(H,19,21)