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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(3-fluorophenyl)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(3-fluorophenyl)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(3-fluorophenyl)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(3-fluorophenyl)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(3-fluorophenyl)acetamide Formula: C21H25FN2O3S MolecularWeight: 404.498203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC2=CC(=CC=C2)F)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CC2=CC(=CC=C2)F)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H25FN2O3S/c1-16-9-10-19(23-21(25)14-17-7-6-8-18(22)13-17)15-20(16)28(26,27)24-11-4-2-3-5-12-24/h6-10,13,15H,2-5,11-12,14H2,1H3,(H,23,25)