[3-[[(3-bromophenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[(3-bromophenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[(3-bromophenyl)carbamoyl-isopropyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[[(3-bromoanilino)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(3-bromophenyl)carbamoyl-propan-2-ylamino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[(3-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(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC(=CC=C3)Br

Isomeric SMILES

CC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC(=CC=C3)Br

InChI

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