[4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 3-fluoranylbenzoate

Systemtic Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 3-fluoranylbenzoate Openeye Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 3-fluorobenzoate CAS Name: 3-fluorobenzoic acid [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] 3-fluorobenzoate Traditional Name: 3-fluorobenzoic acid [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C22H20FNO4S MolecularWeight: 413.461903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20FNO4S/c1-15-7-12-21(13-16(15)2)29(26,27)24(3)19-8-10-20(11-9-19)28-22(25)17-5-4-6-18(23)14-17/h4-14H,1-3H3