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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)F

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)F

InChI

InChI=1S/C22H27FN2O4S/c1-29-21-11-9-17(15-20(21)23)10-12-22(26)24-18-7-6-8-19(16-18)30(27,28)25-13-4-2-3-5-14-25/h6-9,11,15-16H,2-5,10,12-14H2,1H3,(H,24,26)