3-(azepan-1-ylsulfonyl)-N-[1-(3-fluoranyl-4-methoxy-phenyl)ethyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[1-(3-fluoranyl-4-methoxy-phenyl)ethyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[1-(3-fluoro-4-methoxy-phenyl)ethyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[1-(3-fluoro-4-methoxy-phenyl)ethyl]benzamide Formula: C22H27FN2O4S MolecularWeight: 434.524183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27FN2O4S/c1-16(17-10-11-21(29-2)20(23)15-17)24-22(26)18-8-7-9-19(14-18)30(27,28)25-12-5-3-4-6-13-25/h7-11,14-16H,3-6,12-13H2,1-2H3,(H,24,26)