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

Systemtic Name: N-[2-(butylamino)-5-morpholin-4-ylsulfonyl-phenyl]-3,4-dimethyl-benzenesulfonamide Openeye Name: N-[2-(butylamino)-5-morpholinosulfonyl-phenyl]-3,4-dimethyl-benzenesulfonamide CAS Name: N-[2-(butylamino)-5-(4-morpholinylsulfonyl)phenyl]-3,4-dimethylbenzenesulfonamide IUPAC Name: N-[2-(butylamino)-5-morpholin-4-ylsulfonylphenyl]-3,4-dimethylbenzenesulfonamide Traditional Name: N-[2-(butylamino)-5-morpholinosulfonyl-phenyl]-3,4-dimethyl-benzenesulfonamide Formula: C22H31N3O5S2 MolecularWeight: 481.62864

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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(=C(C=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O5S2/c1-4-5-10-23-21-9-8-20(32(28,29)25-11-13-30-14-12-25)16-22(21)24-31(26,27)19-7-6-17(2)18(3)15-19/h6-9,15-16,23-24H,4-5,10-14H2,1-3H3