[5-(diethylamino)-2-[[2-methoxyethanoyl(2-methylpropyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [5-(diethylamino)-2-[[2-methoxyethanoyl(2-methylpropyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [5-(diethylamino)-2-[[isobutyl-(2-methoxyacetyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [5-(diethylamino)-2-[[(2-methoxy-1-oxoethyl)-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [5-(diethylamino)-2-[[(2-methoxyacetyl)-(2-methylpropyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [5-(diethylamino)-2-[[isobutyl-(2-methoxyacetyl)amino]methyl]phenyl] ester Formula: C26H37N3O6S MolecularWeight: 519.65348

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)CN(CC(C)C)C(=O)COC)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)CN(CC(C)C)C(=O)COC)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C26H37N3O6S/c1-7-28(8-2)23-12-9-21(17-29(16-19(3)4)26(31)18-34-6)25(15-23)35-36(32,33)24-13-10-22(11-14-24)27-20(5)30/h9-15,19H,7-8,16-18H2,1-6H3,(H,27,30)