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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[(3-fluorophenyl)amino]ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(3-fluoroanilino)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(3-fluoroanilino)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(3-fluoroanilino)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(3-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=C2)F)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CNC2=CC(=CC=C2)F)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H26FN3O3S/c1-16-9-10-19(24-21(26)15-23-18-8-6-7-17(22)13-18)14-20(16)29(27,28)25-11-4-2-3-5-12-25/h6-10,13-14,23H,2-5,11-12,15H2,1H3,(H,24,26)