N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-fluoranylphenoxy)propanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-fluoranylphenoxy)propanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-fluorophenoxy)propanamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-(4-fluorophenoxy)propanamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-fluorophenoxy)propanamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-fluorophenoxy)propionamide Formula: C22H27FN2O5S MolecularWeight: 450.523583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC)OC3=CC=C(C=C3)F

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC)OC3=CC=C(C=C3)F

InChI

InChI=1S/C22H27FN2O5S/c1-16(30-18-9-7-17(23)8-10-18)22(26)24-20-15-19(11-12-21(20)29-2)31(27,28)25-13-5-3-4-6-14-25/h7-12,15-16H,3-6,13-14H2,1-2H3,(H,24,26)