[3-[[(3,4-dichlorophenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[(3,4-dichlorophenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[(3,4-dichlorobenzoyl)-isopropyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[[(3,4-dichlorophenyl)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(3,4-dichlorobenzoyl)-propan-2-ylamino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[(3,4-dichlorobenzoyl)-isopropyl-amino]methyl]phenyl] ester Formula: C23H20Cl2FNO4S MolecularWeight: 496.378603

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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)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H20Cl2FNO4S/c1-15(2)27(23(28)17-6-11-21(24)22(25)13-17)14-16-4-3-5-19(12-16)31-32(29,30)20-9-7-18(26)8-10-20/h3-13,15H,14H2,1-2H3