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

Systemtic Name: [2-[[butan-2-yl(cyclobutylcarbonyl)amino]methyl]-5-(diethylamino)phenyl] 4-acetamidobenzenesulfonate Openeye Name: [2-[[cyclobutanecarbonyl(sec-butyl)amino]methyl]-5-(diethylamino)phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [2-[[butan-2-yl-[cyclobutyl(oxo)methyl]amino]methyl]-5-(diethylamino)phenyl] ester IUPAC Name: [2-[[butan-2-yl(cyclobutanecarbonyl)amino]methyl]-5-(diethylamino)phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [2-[[cyclobutanecarbonyl(sec-butyl)amino]methyl]-5-(diethylamino)phenyl] ester Formula: C28H39N3O5S MolecularWeight: 529.69136

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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)C3CCC3

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)C3CCC3

InChI

InChI=1S/C28H39N3O5S/c1-6-20(4)31(28(33)22-10-9-11-22)19-23-12-15-25(30(7-2)8-3)18-27(23)36-37(34,35)26-16-13-24(14-17-26)29-21(5)32/h12-18,20,22H,6-11,19H2,1-5H3,(H,29,32)