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

Systemtic Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-5-chloranyl-2-fluoranyl-benzamide Openeye Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-5-chloro-2-fluoro-benzamide CAS Name: N-[2-(1-azepanyl)-5-(4-morpholinylsulfonyl)phenyl]-5-chloro-2-fluorobenzamide IUPAC Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-5-chloro-2-fluorobenzamide Traditional Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-5-chloro-2-fluoro-benzamide Formula: C23H27ClFN3O4S MolecularWeight: 495.994583

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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=C(C=CC(=C4)Cl)F

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClFN3O4S/c24-17-5-7-20(25)19(15-17)23(29)26-21-16-18(33(30,31)28-11-13-32-14-12-28)6-8-22(21)27-9-3-1-2-4-10-27/h5-8,15-16H,1-4,9-14H2,(H,26,29)