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

Systemtic Name: [5-(diethylamino)-2-[[furan-2-ylcarbonyl(2-methylpropyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [5-(diethylamino)-2-[[furan-2-carbonyl(isobutyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [5-(diethylamino)-2-[[[2-furanyl(oxo)methyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [5-(diethylamino)-2-[[furan-2-carbonyl(2-methylpropyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [5-(diethylamino)-2-[[2-furoyl(isobutyl)amino]methyl]phenyl] ester Formula: C28H35N3O6S MolecularWeight: 541.659

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)CN(CC(C)C)C(=O)C2=CC=CO2)OS(=O)(=O)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)CN(CC(C)C)C(=O)C2=CC=CO2)OS(=O)(=O)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C28H35N3O6S/c1-6-30(7-2)24-13-10-22(19-31(18-20(3)4)28(33)26-9-8-16-36-26)27(17-24)37-38(34,35)25-14-11-23(12-15-25)29-21(5)32/h8-17,20H,6-7,18-19H2,1-5H3,(H,29,32)