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

Systemtic Name: [2-[[tert-butylcarbamoyl(cyclopropyl)amino]methyl]-5-(diethylamino)phenyl] ethanesulfonate Openeye Name: [2-[[tert-butylcarbamoyl(cyclopropyl)amino]methyl]-5-(diethylamino)phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-[[[(tert-butylamino)-oxomethyl]-cyclopropylamino]methyl]-5-(diethylamino)phenyl] ester IUPAC Name: [2-[[tert-butylcarbamoyl(cyclopropyl)amino]methyl]-5-(diethylamino)phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [2-[[tert-butylcarbamoyl(cyclopropyl)amino]methyl]-5-(diethylamino)phenyl] ester Formula: C21H35N3O4S MolecularWeight: 425.5853

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)CN(C2CC2)C(=O)NC(C)(C)C)OS(=O)(=O)CC

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)CN(C2CC2)C(=O)NC(C)(C)C)OS(=O)(=O)CC

InChI

InChI=1S/C21H35N3O4S/c1-7-23(8-2)18-11-10-16(19(14-18)28-29(26,27)9-3)15-24(17-12-13-17)20(25)22-21(4,5)6/h10-11,14,17H,7-9,12-13,15H2,1-6H3,(H,22,25)