N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-3-fluoranyl-benzamide

Systemtic Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-3-fluoranyl-benzamide Openeye Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-3-fluoro-benzamide CAS Name: N-[2-(1-azepanyl)-5-(4-morpholinylsulfonyl)phenyl]-3-fluorobenzamide IUPAC Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-fluorobenzamide Traditional Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-3-fluoro-benzamide Formula: C23H28FN3O4S MolecularWeight: 461.549523

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=CC(=CC=C4)F

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C23H28FN3O4S/c24-19-7-5-6-18(16-19)23(28)25-21-17-20(32(29,30)27-12-14-31-15-13-27)8-9-22(21)26-10-3-1-2-4-11-26/h5-9,16-17H,1-4,10-15H2,(H,25,28)