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

Systemtic Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-3-fluoranyl-4-methyl-benzamide Openeye Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-3-fluoro-4-methyl-benzamide CAS Name: N-[2-(1-azepanyl)-5-(4-morpholinylsulfonyl)phenyl]-3-fluoro-4-methylbenzamide IUPAC Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-fluoro-4-methylbenzamide Traditional Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-3-fluoro-4-methyl-benzamide Formula: C24H30FN3O4S MolecularWeight: 475.576103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCCCC4)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCCCC4)F

InChI

InChI=1S/C24H30FN3O4S/c1-18-6-7-19(16-21(18)25)24(29)26-22-17-20(33(30,31)28-12-14-32-15-13-28)8-9-23(22)27-10-4-2-3-5-11-27/h6-9,16-17H,2-5,10-15H2,1H3,(H,26,29)