[3-(3,4-dichlorophenyl)-4-[(4-fluoranylnaphthalen-1-yl)carbonylamino]butyl] methanesulfonate

Systemtic Name: [3-(3,4-dichlorophenyl)-4-[(4-fluoranylnaphthalen-1-yl)carbonylamino]butyl] methanesulfonate Openeye Name: [3-(3,4-dichlorophenyl)-4-[(4-fluoronaphthalene-1-carbonyl)amino]butyl] methanesulfonate CAS Name: methanesulfonic acid [3-(3,4-dichlorophenyl)-4-[[(4-fluoro-1-naphthalenyl)-oxomethyl]amino]butyl] ester IUPAC Name: [3-(3,4-dichlorophenyl)-4-[(4-fluoronaphthalene-1-carbonyl)amino]butyl] methanesulfonate Traditional Name: methanesulfonic acid [3-(3,4-dichlorophenyl)-4-[(4-fluoro-1-naphthoyl)amino]butyl] ester Formula: C22H20Cl2FNO4S MolecularWeight: 484.367903

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCC(CNC(=O)C1=CC=C(C2=CC=CC=C21)F)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CS(=O)(=O)OCCC(CNC(=O)C1=CC=C(C2=CC=CC=C21)F)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H20Cl2FNO4S/c1-31(28,29)30-11-10-15(14-6-8-19(23)20(24)12-14)13-26-22(27)18-7-9-21(25)17-5-3-2-4-16(17)18/h2-9,12,15H,10-11,13H2,1H3,(H,26,27)