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

Systemtic Name: N-[2-(butylamino)-5-morpholin-4-ylsulfonyl-phenyl]-3-ethanoyl-benzenesulfonamide Openeye Name: 3-acetyl-N-[2-(butylamino)-5-morpholinosulfonyl-phenyl]benzenesulfonamide CAS Name: 3-acetyl-N-[2-(butylamino)-5-(4-morpholinylsulfonyl)phenyl]benzenesulfonamide IUPAC Name: 3-acetyl-N-[2-(butylamino)-5-morpholin-4-ylsulfonylphenyl]benzenesulfonamide Traditional Name: 3-acetyl-N-[2-(butylamino)-5-morpholinosulfonyl-phenyl]benzenesulfonamide Formula: C22H29N3O6S2 MolecularWeight: 495.61216

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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(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O6S2/c1-3-4-10-23-21-9-8-20(33(29,30)25-11-13-31-14-12-25)16-22(21)24-32(27,28)19-7-5-6-18(15-19)17(2)26/h5-9,15-16,23-24H,3-4,10-14H2,1-2H3