[4-chloranyl-2-[[(3-fluorophenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [4-chloranyl-2-[[(3-fluorophenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [4-chloro-2-[[(3-fluorobenzoyl)-isopropyl-amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[[(3-fluorophenyl)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[(3-fluorobenzoyl)-propan-2-ylamino]methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[(3-fluorobenzoyl)-isopropyl-amino]methyl]phenyl] ester Formula: C25H24ClFN2O5S MolecularWeight: 518.984863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=C(C=CC(=C1)Cl)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

CC(C)N(CC1=C(C=CC(=C1)Cl)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C25H24ClFN2O5S/c1-16(2)29(25(31)18-5-4-6-21(27)14-18)15-19-13-20(26)7-12-24(19)34-35(32,33)23-10-8-22(9-11-23)28-17(3)30/h4-14,16H,15H2,1-3H3,(H,28,30)