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

Systemtic Name: N-[2-(butylamino)-5-morpholin-4-ylsulfonyl-phenyl]-3-fluoranyl-4-methyl-benzamide Openeye Name: N-[2-(butylamino)-5-morpholinosulfonyl-phenyl]-3-fluoro-4-methyl-benzamide CAS Name: N-[2-(butylamino)-5-(4-morpholinylsulfonyl)phenyl]-3-fluoro-4-methylbenzamide IUPAC Name: N-[2-(butylamino)-5-morpholin-4-ylsulfonylphenyl]-3-fluoro-4-methylbenzamide Traditional Name: N-[2-(butylamino)-5-morpholinosulfonyl-phenyl]-3-fluoro-4-methyl-benzamide Formula: C22H28FN3O4S MolecularWeight: 449.538823

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC(=C(C=C3)C)F

Isomeric SMILES

CCCCNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC(=C(C=C3)C)F

InChI

InChI=1S/C22H28FN3O4S/c1-3-4-9-24-20-8-7-18(31(28,29)26-10-12-30-13-11-26)15-21(20)25-22(27)17-6-5-16(2)19(23)14-17/h5-8,14-15,24H,3-4,9-13H2,1-2H3,(H,25,27)