[4-[[(4-nitrophenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[(4-nitrophenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[isopropyl-[(4-nitrophenyl)carbamoyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[[(4-nitroanilino)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[(4-nitrophenyl)carbamoyl-propan-2-ylamino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[isopropyl-[(4-nitrophenyl)carbamoyl]amino]methyl]phenyl] ester Formula: C23H22FN3O6S MolecularWeight: 487.500683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H22FN3O6S/c1-16(2)26(23(28)25-19-7-9-20(10-8-19)27(29)30)15-17-3-11-21(12-4-17)33-34(31,32)22-13-5-18(24)6-14-22/h3-14,16H,15H2,1-2H3,(H,25,28)