2-[(4-methylphenyl)sulfonyl-phenyl-amino]ethyl 3-fluoranylbenzoate

Systemtic Name: 2-[(4-methylphenyl)sulfonyl-phenyl-amino]ethyl 3-fluoranylbenzoate Openeye Name: 2-[N-(p-tolylsulfonyl)anilino]ethyl 3-fluorobenzoate CAS Name: 3-fluorobenzoic acid 2-(N-(4-methylphenyl)sulfonylanilino)ethyl ester IUPAC Name: 2-(N-(4-methylphenyl)sulfonylanilino)ethyl 3-fluorobenzoate Traditional Name: 3-fluorobenzoic acid 2-(N-tosylanilino)ethyl ester Formula: C22H20FNO4S MolecularWeight: 413.461903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCOC(=O)C2=CC(=CC=C2)F)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCOC(=O)C2=CC(=CC=C2)F)C3=CC=CC=C3

InChI

InChI=1S/C22H20FNO4S/c1-17-10-12-21(13-11-17)29(26,27)24(20-8-3-2-4-9-20)14-15-28-22(25)18-6-5-7-19(23)16-18/h2-13,16H,14-15H2,1H3