4-fluoranyl-N-methyl-N-[3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]benzenesulfonamide

Systemtic Name: 4-fluoranyl-N-methyl-N-[3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]benzenesulfonamide Openeye Name: 4-fluoro-N-methyl-N-[3-methyl-5-[2-(4-pyridylamino)ethoxy]phenyl]benzenesulfonamide CAS Name: 4-fluoro-N-methyl-N-[3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]benzenesulfonamide IUPAC Name: 4-fluoro-N-methyl-N-[3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]benzenesulfonamide Traditional Name: 4-fluoro-N-methyl-N-[3-methyl-5-[2-(4-pyridylamino)ethoxy]phenyl]benzenesulfonamide Formula: C21H22FN3O3S MolecularWeight: 415.481083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCNC2=CC=NC=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=CC(=C1)OCCNC2=CC=NC=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FN3O3S/c1-16-13-19(25(2)29(26,27)21-5-3-17(22)4-6-21)15-20(14-16)28-12-11-24-18-7-9-23-10-8-18/h3-10,13-15H,11-12H2,1-2H3,(H,23,24)