N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(2-fluorophenyl)ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(2-fluorophenyl)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(2-fluorophenyl)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-(2-fluorophenyl)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(2-fluorophenyl)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(2-fluorophenyl)acetamide Formula: C21H25FN2O4S MolecularWeight: 420.497603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CC3=CC=CC=C3F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CC3=CC=CC=C3F

InChI

InChI=1S/C21H25FN2O4S/c1-28-20-11-10-17(29(26,27)24-12-6-2-3-7-13-24)15-19(20)23-21(25)14-16-8-4-5-9-18(16)22/h4-5,8-11,15H,2-3,6-7,12-14H2,1H3,(H,23,25)