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

Systemtic Name: [3-[[ethanoyl(propan-2-yl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [3-[[acetyl(isopropyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [3-[[acetyl(propan-2-yl)amino]methyl]phenyl] ester IUPAC Name: [3-[[acetyl(propan-2-yl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [3-[[acetyl(isopropyl)amino]methyl]phenyl] ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O5S/c1-14(2)22(16(4)24)13-17-6-5-7-19(12-17)27-28(25,26)20-10-8-18(9-11-20)21-15(3)23/h5-12,14H,13H2,1-4H3,(H,21,23)