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

Systemtic Name: N-[2-(butylamino)-5-morpholin-4-ylsulfonyl-phenyl]-4-cyano-benzenesulfonamide Openeye Name: N-[2-(butylamino)-5-morpholinosulfonyl-phenyl]-4-cyano-benzenesulfonamide CAS Name: N-[2-(butylamino)-5-(4-morpholinylsulfonyl)phenyl]-4-cyanobenzenesulfonamide IUPAC Name: N-[2-(butylamino)-5-morpholin-4-ylsulfonylphenyl]-4-cyanobenzenesulfonamide Traditional Name: N-[2-(butylamino)-5-morpholinosulfonyl-phenyl]-4-cyano-benzenesulfonamide Formula: C21H26N4O5S2 MolecularWeight: 478.58494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NS(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NS(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H26N4O5S2/c1-2-3-10-23-20-9-8-19(32(28,29)25-11-13-30-14-12-25)15-21(20)24-31(26,27)18-6-4-17(16-22)5-7-18/h4-9,15,23-24H,2-3,10-14H2,1H3