N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[(2-fluorophenyl)amino]ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[(2-fluorophenyl)amino]ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(2-fluoroanilino)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(2-fluoroanilino)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(2-fluoroanilino)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(2-fluoroanilino)acetamide Formula: C21H26FN3O3S MolecularWeight: 419.512843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CNC2=CC=CC=C2F)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CNC2=CC=CC=C2F)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H26FN3O3S/c1-16-10-11-17(24-21(26)15-23-19-9-5-4-8-18(19)22)14-20(16)29(27,28)25-12-6-2-3-7-13-25/h4-5,8-11,14,23H,2-3,6-7,12-13,15H2,1H3,(H,24,26)