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

Systemtic Name: [5-(diethylamino)-2-[[ethanoyl(2-methylpropyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [2-[[acetyl(isobutyl)amino]methyl]-5-(diethylamino)phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [2-[[acetyl(2-methylpropyl)amino]methyl]-5-(diethylamino)phenyl] ester IUPAC Name: [2-[[acetyl(2-methylpropyl)amino]methyl]-5-(diethylamino)phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [2-[[acetyl(isobutyl)amino]methyl]-5-(diethylamino)phenyl] ester Formula: C25H35N3O5S MolecularWeight: 489.6275

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H35N3O5S/c1-7-27(8-2)23-12-9-21(17-28(20(6)30)16-18(3)4)25(15-23)33-34(31,32)24-13-10-22(11-14-24)26-19(5)29/h9-15,18H,7-8,16-17H2,1-6H3,(H,26,29)