3-fluoranyl-4-methyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide

Systemtic Name: 3-fluoranyl-4-methyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide Openeye Name: 3-fluoro-4-methyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide CAS Name: 3-fluoro-4-methyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide IUPAC Name: 3-fluoro-4-methyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide Traditional Name: 3-fluoro-4-methyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide Formula: C20H22FN3O3S MolecularWeight: 403.470383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3)F

InChI

InChI=1S/C20H22FN3O3S/c1-14-9-10-15(12-18(14)21)20(25)23-16-6-5-7-17(13-16)28(26,27)24-19-8-3-2-4-11-22-19/h5-7,9-10,12-13H,2-4,8,11H2,1H3,(H,22,24)(H,23,25)