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

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-[1-(4-fluorophenyl)ethyl]-2-methyl-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-[1-(4-fluorophenyl)ethyl]-2-methyl-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-[1-(4-fluorophenyl)ethyl]-2-methylbenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-[1-(4-fluorophenyl)ethyl]-2-methylbenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-[1-(4-fluorophenyl)ethyl]-2-methyl-benzamide Formula: C22H27FN2O3S MolecularWeight: 418.524783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC(C)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC(C)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H27FN2O3S/c1-16-7-12-20(29(27,28)25-13-5-3-4-6-14-25)15-21(16)22(26)24-17(2)18-8-10-19(23)11-9-18/h7-12,15,17H,3-6,13-14H2,1-2H3,(H,24,26)