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

Systemtic Name: [4-[[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[(3-chloro-4-fluoro-phenyl)carbamoyl-isopropyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[[(3-chloro-4-fluoroanilino)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[(3-chloro-4-fluorophenyl)carbamoyl-propan-2-ylamino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[(3-chloro-4-fluoro-phenyl)carbamoyl-isopropyl-amino]methyl]phenyl] ester Formula: C23H21ClF2N2O4S MolecularWeight: 494.938646

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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)F)Cl

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)F)Cl

InChI

InChI=1S/C23H21ClF2N2O4S/c1-15(2)28(23(29)27-18-7-12-22(26)21(24)13-18)14-16-3-8-19(9-4-16)32-33(30,31)20-10-5-17(25)6-11-20/h3-13,15H,14H2,1-2H3,(H,27,29)