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

Systemtic Name: [3-[[(2,4-dichlorophenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[(2,4-dichlorophenyl)carbamoyl-isopropyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[[(2,4-dichloroanilino)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(2,4-dichlorophenyl)carbamoyl-propan-2-ylamino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[(2,4-dichlorophenyl)carbamoyl-isopropyl-amino]methyl]phenyl] ester Formula: C23H21Cl2FN2O4S MolecularWeight: 511.393243

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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=C(C=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)NC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C23H21Cl2FN2O4S/c1-15(2)28(23(29)27-22-11-6-17(24)13-21(22)25)14-16-4-3-5-19(12-16)32-33(30,31)20-9-7-18(26)8-10-20/h3-13,15H,14H2,1-2H3,(H,27,29)