[2-[[butan-2-yl(tert-butylcarbamoyl)amino]methyl]-5-(diethylamino)phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [2-[[butan-2-yl(tert-butylcarbamoyl)amino]methyl]-5-(diethylamino)phenyl] 4-acetamidobenzenesulfonate Openeye Name: [2-[[tert-butylcarbamoyl(sec-butyl)amino]methyl]-5-(diethylamino)phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [2-[[butan-2-yl-[(tert-butylamino)-oxomethyl]amino]methyl]-5-(diethylamino)phenyl] ester IUPAC Name: [2-[[butan-2-yl(tert-butylcarbamoyl)amino]methyl]-5-(diethylamino)phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [2-[[tert-butylcarbamoyl(sec-butyl)amino]methyl]-5-(diethylamino)phenyl] ester Formula: C28H42N4O5S MolecularWeight: 546.72188

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=C(C=C(C=C1)N(CC)CC)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C(=O)NC(C)(C)C

Isomeric SMILES

CCC(C)N(CC1=C(C=C(C=C1)N(CC)CC)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C(=O)NC(C)(C)C

InChI

InChI=1S/C28H42N4O5S/c1-9-20(4)32(27(34)30-28(6,7)8)19-22-12-15-24(31(10-2)11-3)18-26(22)37-38(35,36)25-16-13-23(14-17-25)29-21(5)33/h12-18,20H,9-11,19H2,1-8H3,(H,29,33)(H,30,34)