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

Systemtic Name: [5-(diethylamino)-2-[[2-methoxyethyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [5-(diethylamino)-2-[[isopropylcarbamoyl(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-(diethylamino)-2-[[2-methoxyethyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]phenyl] ester IUPAC Name: [5-(diethylamino)-2-[[2-methoxyethyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-(diethylamino)-2-[[isopropylcarbamoyl(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C20H35N3O5S MolecularWeight: 429.574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H35N3O5S/c1-7-22(8-2)18-11-10-17(19(14-18)28-29(25,26)9-3)15-23(12-13-27-6)20(24)21-16(4)5/h10-11,14,16H,7-9,12-13,15H2,1-6H3,(H,21,24)