2-butyl-3-[4-(methylsulfonylamino)phenyl]sulfanyl-benzenesulfonamide

Systemtic Name: 2-butyl-3-[4-(methylsulfonylamino)phenyl]sulfanyl-benzenesulfonamide Openeye Name: 2-butyl-3-[4-(methanesulfonamido)phenyl]sulfanyl-benzenesulfonamide CAS Name: 2-butyl-3-[[4-(methanesulfonamido)phenyl]thio]benzenesulfonamide IUPAC Name: 2-butyl-3-[4-(methanesulfonamido)phenyl]sulfanylbenzenesulfonamide Traditional Name: 2-butyl-3-[[4-(methanesulfonamido)phenyl]thio]benzenesulfonamide Formula: C17H22N2O4S3 MolecularWeight: 414.56258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC=C1S(=O)(=O)N)SC2=CC=C(C=C2)NS(=O)(=O)C

Isomeric SMILES

CCCCC1=C(C=CC=C1S(=O)(=O)N)SC2=CC=C(C=C2)NS(=O)(=O)C

InChI

InChI=1S/C17H22N2O4S3/c1-3-4-6-15-16(7-5-8-17(15)26(18,22)23)24-14-11-9-13(10-12-14)19-25(2,20)21/h5,7-12,19H,3-4,6H2,1-2H3,(H2,18,22,23)