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

Systemtic Name: [5-(diethylamino)-2-[[propan-2-yl(propan-2-ylcarbamoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [5-(diethylamino)-2-[[isopropyl(isopropylcarbamoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-(diethylamino)-2-[[[oxo-(propan-2-ylamino)methyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [5-(diethylamino)-2-[[propan-2-yl(propan-2-ylcarbamoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-(diethylamino)-2-[[isopropyl(isopropylcarbamoyl)amino]methyl]phenyl] ester Formula: C20H35N3O4S MolecularWeight: 413.5746

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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)OS(=O)(=O)CC

Isomeric SMILES

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

InChI

InChI=1S/C20H35N3O4S/c1-8-22(9-2)18-12-11-17(19(13-18)27-28(25,26)10-3)14-23(16(6)7)20(24)21-15(4)5/h11-13,15-16H,8-10,14H2,1-7H3,(H,21,24)