[2-[[tert-butylcarbamoyl(propan-2-yl)amino]methyl]-5-(diethylamino)phenyl] ethanesulfonate

Systemtic Name: [2-[[tert-butylcarbamoyl(propan-2-yl)amino]methyl]-5-(diethylamino)phenyl] ethanesulfonate Openeye Name: [2-[[tert-butylcarbamoyl(isopropyl)amino]methyl]-5-(diethylamino)phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-[[[(tert-butylamino)-oxomethyl]-propan-2-ylamino]methyl]-5-(diethylamino)phenyl] ester IUPAC Name: [2-[[tert-butylcarbamoyl(propan-2-yl)amino]methyl]-5-(diethylamino)phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [2-[[tert-butylcarbamoyl(isopropyl)amino]methyl]-5-(diethylamino)phenyl] ester Formula: C21H37N3O4S MolecularWeight: 427.60118

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)CN(C(C)C)C(=O)NC(C)(C)C)OS(=O)(=O)CC

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)CN(C(C)C)C(=O)NC(C)(C)C)OS(=O)(=O)CC

InChI

InChI=1S/C21H37N3O4S/c1-9-23(10-2)18-13-12-17(19(14-18)28-29(26,27)11-3)15-24(16(4)5)20(25)22-21(6,7)8/h12-14,16H,9-11,15H2,1-8H3,(H,22,25)