N-(3-acetamido-4-fluoranyl-phenyl)-3-(azepan-1-ylsulfonyl)-4-methoxy-benzamide

Systemtic Name: N-(3-acetamido-4-fluoranyl-phenyl)-3-(azepan-1-ylsulfonyl)-4-methoxy-benzamide Openeye Name: N-(3-acetamido-4-fluoro-phenyl)-3-(azepan-1-ylsulfonyl)-4-methoxy-benzamide CAS Name: N-(3-acetamido-4-fluorophenyl)-3-(1-azepanylsulfonyl)-4-methoxybenzamide IUPAC Name: N-(3-acetamido-4-fluorophenyl)-3-(azepan-1-ylsulfonyl)-4-methoxybenzamide Traditional Name: N-(3-acetamido-4-fluoro-phenyl)-3-(azepan-1-ylsulfonyl)-4-methoxy-benzamide Formula: C22H26FN3O5S MolecularWeight: 463.522343

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3)F

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3)F

InChI

InChI=1S/C22H26FN3O5S/c1-15(27)24-19-14-17(8-9-18(19)23)25-22(28)16-7-10-20(31-2)21(13-16)32(29,30)26-11-5-3-4-6-12-26/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,24,27)(H,25,28)