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

Systemtic Name: [4-[[(4-bromophenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[(4-bromophenyl)carbamoyl-isopropyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[[(4-bromoanilino)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[(4-bromophenyl)carbamoyl-propan-2-ylamino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[(4-bromophenyl)carbamoyl-isopropyl-amino]methyl]phenyl] ester Formula: C23H22BrFN2O4S MolecularWeight: 521.399183

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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)Br

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)Br

InChI

InChI=1S/C23H22BrFN2O4S/c1-16(2)27(23(28)26-20-9-5-18(24)6-10-20)15-17-3-11-21(12-4-17)31-32(29,30)22-13-7-19(25)8-14-22/h3-14,16H,15H2,1-2H3,(H,26,28)