[3-[[cyclobutylcarbonyl(propan-2-yl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [3-[[cyclobutylcarbonyl(propan-2-yl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [3-[[cyclobutanecarbonyl(isopropyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [3-[[[cyclobutyl(oxo)methyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[cyclobutanecarbonyl(propan-2-yl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [3-[[cyclobutanecarbonyl(isopropyl)amino]methyl]phenyl] ester Formula: C23H28N2O5S MolecularWeight: 444.54382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C(=O)C3CCC3

Isomeric SMILES

CC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C(=O)C3CCC3

InChI

InChI=1S/C23H28N2O5S/c1-16(2)25(23(27)19-7-5-8-19)15-18-6-4-9-21(14-18)30-31(28,29)22-12-10-20(11-13-22)24-17(3)26/h4,6,9-14,16,19H,5,7-8,15H2,1-3H3,(H,24,26)