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

Systemtic Name: N-[2-(butylamino)-5-morpholin-4-ylsulfonyl-phenyl]-4-fluoranyl-2-methyl-benzenesulfonamide Openeye Name: N-[2-(butylamino)-5-morpholinosulfonyl-phenyl]-4-fluoro-2-methyl-benzenesulfonamide CAS Name: N-[2-(butylamino)-5-(4-morpholinylsulfonyl)phenyl]-4-fluoro-2-methylbenzenesulfonamide IUPAC Name: N-[2-(butylamino)-5-morpholin-4-ylsulfonylphenyl]-4-fluoro-2-methylbenzenesulfonamide Traditional Name: N-[2-(butylamino)-5-morpholinosulfonyl-phenyl]-4-fluoro-2-methyl-benzenesulfonamide Formula: C21H28FN3O5S2 MolecularWeight: 485.592523

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NS(=O)(=O)C3=C(C=C(C=C3)F)C

Isomeric SMILES

CCCCNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NS(=O)(=O)C3=C(C=C(C=C3)F)C

InChI

InChI=1S/C21H28FN3O5S2/c1-3-4-9-23-19-7-6-18(32(28,29)25-10-12-30-13-11-25)15-20(19)24-31(26,27)21-8-5-17(22)14-16(21)2/h5-8,14-15,23-24H,3-4,9-13H2,1-2H3