N-[2-(butylamino)-5-morpholin-4-ylsulfonyl-phenyl]-3-cyano-benzenesulfonamide

Systemtic Name: N-[2-(butylamino)-5-morpholin-4-ylsulfonyl-phenyl]-3-cyano-benzenesulfonamide Openeye Name: N-[2-(butylamino)-5-morpholinosulfonyl-phenyl]-3-cyano-benzenesulfonamide CAS Name: N-[2-(butylamino)-5-(4-morpholinylsulfonyl)phenyl]-3-cyanobenzenesulfonamide IUPAC Name: N-[2-(butylamino)-5-morpholin-4-ylsulfonylphenyl]-3-cyanobenzenesulfonamide Traditional Name: N-[2-(butylamino)-5-morpholinosulfonyl-phenyl]-3-cyano-benzenesulfonamide Formula: C21H26N4O5S2 MolecularWeight: 478.58494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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