3-(azepan-1-ylsulfonyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-methyl-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-methyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-methyl-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[2-[(2-fluorophenyl)methylthio]ethyl]-4-methylbenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-methylbenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[2-[(2-fluorobenzyl)thio]ethyl]-4-methyl-benzamide Formula: C23H29FN2O3S2 MolecularWeight: 464.616363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCSCC2=CC=CC=C2F)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCSCC2=CC=CC=C2F)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H29FN2O3S2/c1-18-10-11-19(16-22(18)31(28,29)26-13-6-2-3-7-14-26)23(27)25-12-15-30-17-20-8-4-5-9-21(20)24/h4-5,8-11,16H,2-3,6-7,12-15,17H2,1H3,(H,25,27)