5-(azepan-1-ylsulfonyl)-N-(4-ethoxyphenyl)-2-fluoranyl-benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-(4-ethoxyphenyl)-2-fluoranyl-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-(4-ethoxyphenyl)-2-fluoro-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-(4-ethoxyphenyl)-2-fluorobenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-(4-ethoxyphenyl)-2-fluorobenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-fluoro-N-p-phenetyl-benzamide Formula: C21H25FN2O4S MolecularWeight: 420.497603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)F

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)F

InChI

InChI=1S/C21H25FN2O4S/c1-2-28-17-9-7-16(8-10-17)23-21(25)19-15-18(11-12-20(19)22)29(26,27)24-13-5-3-4-6-14-24/h7-12,15H,2-6,13-14H2,1H3,(H,23,25)