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

Systemtic Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 4-fluoranylbenzoate Openeye Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] 4-fluorobenzoate Traditional Name: 4-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=C(C=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=C(C=C3)F)C

InChI

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