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

Systemtic Name: [5-(diethylamino)-2-[[2-methylpropanoyl(2-methylpropyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [5-(diethylamino)-2-[[isobutyl(2-methylpropanoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [5-(diethylamino)-2-[[(2-methyl-1-oxopropyl)-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [5-(diethylamino)-2-[[2-methylpropanoyl(2-methylpropyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [5-(diethylamino)-2-[[isobutyl(isobutyryl)amino]methyl]phenyl] ester Formula: C27H39N3O5S MolecularWeight: 517.68066

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H39N3O5S/c1-8-29(9-2)24-13-10-22(18-30(17-19(3)4)27(32)20(5)6)26(16-24)35-36(33,34)25-14-11-23(12-15-25)28-21(7)31/h10-16,19-20H,8-9,17-18H2,1-7H3,(H,28,31)