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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[(4-fluorophenyl)methylsulfanyl]ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-[(4-fluorophenyl)methylthio]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[(4-fluorobenzyl)thio]acetamide Formula: C22H27FN2O3S2 MolecularWeight: 450.589783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSCC2=CC=C(C=C2)F)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSCC2=CC=C(C=C2)F)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H27FN2O3S2/c1-17-6-11-20(14-21(17)30(27,28)25-12-4-2-3-5-13-25)24-22(26)16-29-15-18-7-9-19(23)10-8-18/h6-11,14H,2-5,12-13,15-16H2,1H3,(H,24,26)