3-[[4-(5-bromanylthiophen-2-yl)butanoylamino]carbamoyl]-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 3-[[4-(5-bromanylthiophen-2-yl)butanoylamino]carbamoyl]-N,N-dimethyl-benzenesulfonamide Openeye Name: 3-[[4-(5-bromo-2-thienyl)butanoylamino]carbamoyl]-N,N-dimethyl-benzenesulfonamide CAS Name: 3-[[[4-(5-bromo-2-thiophenyl)-1-oxobutyl]hydrazo]-oxomethyl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 3-[[4-(5-bromothiophen-2-yl)butanoylamino]carbamoyl]-N,N-dimethylbenzenesulfonamide Traditional Name: 3-[[4-(5-bromo-2-thienyl)butanoylamino]carbamoyl]-N,N-dimethyl-benzenesulfonamide Formula: C17H20BrN3O4S2 MolecularWeight: 474.3924

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)CCCC2=CC=C(S2)Br

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)CCCC2=CC=C(S2)Br

InChI

InChI=1S/C17H20BrN3O4S2/c1-21(2)27(24,25)14-7-3-5-12(11-14)17(23)20-19-16(22)8-4-6-13-9-10-15(18)26-13/h3,5,7,9-11H,4,6,8H2,1-2H3,(H,19,22)(H,20,23)